N，N’-(1，1’-(Decane-1，10-Diyl)Bis(Pyridin-1(1H)-Yl-4(1H)-Ylidene))Bis(Octan-1-Amine)Name:
4-Octylimino-1-[10-(4-octylimino-4H-pyridin-1-yl)-decyl]-piperidineMol. Formula:
C36H62N4M.W.:
550.92Type:
Small moleculeAlogP:
9.63Polar Surface Area:
34.58HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
25Passes Ro3:
NQED Weighted:
0.11DETAILS
ALA538749Name:
Hexyl-(1-hexyl-1H-pyridin-4-ylidene)-amine hydrobromideMol. Formula:
C17H31BrN2M.W.:
343.35Type:
Small moleculeAlogP:
4.55Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA538738Name:
(1-Hexyl-1H-pyridin-4-ylidene)-nonyl-amine hydrochlorideMol. Formula:
C20H37ClN2M.W.:
340.98Type:
Small moleculeAlogP:
5.72Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA555270Name:
Nonyl-(1-nonyl-1H-pyridin-4-ylidene)-amine hydrochlorideMol. Formula:
C23H43ClN2M.W.:
383.06Type:
Small moleculeAlogP:
6.89Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA544521Name:
(1-Nonyl-1H-pyridin-4-ylidene)-octyl-amine hydrochlorideMol. Formula:
C22H41ClN2M.W.:
369.04Type:
Small moleculeAlogP:
6.50Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.33DETAILS- ALA544520
Name:
Heptyl-(1-octyl-1H-pyridin-4-ylidene)-amine hydrobromideMol. Formula:
C20H37BrN2M.W.:
385.43Type:
Small moleculeAlogP:
5.72Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA544518
Name:
(1-Benzyl-1H-pyridin-4-ylidene)-tetradecyl-amine hydrochlorideMol. Formula:
C26H41ClN2M.W.:
417.08Type:
Small moleculeAlogP:
7.14Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA544283
Name:
(1-Heptyl-1H-pyridin-4-ylidene)-octyl-amine hydrobromideMol. Formula:
C20H37BrN2M.W.:
385.43Type:
Small moleculeAlogP:
5.72Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA544048
Name:
[1-(2-Ethyl-hexyl)-1H-pyridin-4-ylidene]-octyl-amine hydrobromideMol. Formula:
C21H39BrN2M.W.:
399.46Type:
Small moleculeAlogP:
5.97Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA544047
Name:
Dodecyl-(1-methyl-1H-pyridin-4-ylidene)-amine; hydriodideMol. Formula:
C18H33IN2M.W.:
404.38Type:
Small moleculeAlogP:
4.85Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA543816
Name:
Heptyl-(1-hexyl-1H-pyridin-4-ylidene)-amine hydrochlorideMol. Formula:
C18H33ClN2M.W.:
312.93Type:
Small moleculeAlogP:
4.94Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA554221
Name:
(1-Benzyl-1H-pyridin-4-ylidene)-dodecyl-amine hydrochlorideMol. Formula:
C24H37ClN2M.W.:
389.03Type:
Small moleculeAlogP:
6.36Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA543577
Name:
Methyl-(1-methyl-1H-pyridin-4-ylidene)-amine; hydriodideMol. Formula:
C7H11IN2M.W.:
250.08Type:
Small moleculeAlogP:
0.56Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.48DETAILS - ALA542388
Name:
(1-Heptyl-1H-pyridin-4-ylidene)-hexyl-amine hydrochlorideMol. Formula:
C18H33ClN2M.W.:
312.93Type:
Small moleculeAlogP:
4.94Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA542138
Name:
Nonyl-(1-octyl-1H-pyridin-4-ylidene)-amine hydrobromideMol. Formula:
C22H41BrN2M.W.:
413.49Type:
Small moleculeAlogP:
6.50Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA554185
Name:
[1-(4-Chloro-benzyl)-1H-pyridin-4-ylidene]-octyl-amine hydrochlorideMol. Formula:
C20H28Cl2N2M.W.:
367.36Type:
Small moleculeAlogP:
5.45Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA542137
Name:
(2-Ethyl-hexyl)-[1-(2-ethyl-hexyl)-1H-pyridin-4-ylidene]-amine hydrobromideMol. Formula:
C21H39BrN2M.W.:
399.46Type:
Small moleculeAlogP:
5.82Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA545686
Name:
Octyl-(1-octyl-1H-pyridin-4-ylidene)-amine hydrochlorideMol. Formula:
C21H39ClN2M.W.:
355.01Type:
Small moleculeAlogP:
6.11Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA544278
Name:
(1-Benzyl-1H-pyridin-4-ylidene)-octyl-amine hydrochlorideMol. Formula:
C20H29ClN2M.W.:
332.92Type:
Small moleculeAlogP:
4.80Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA555777
Name:
Heptyl-(1-nonyl-1H-pyridin-4-ylidene)-amine hydrochlorideMol. Formula:
C21H39ClN2M.W.:
355.01Type:
Small moleculeAlogP:
6.11Polar Surface Area:
17.29HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.37DETAILS
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