The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
2,2-Dimethyl-adamantan-1-ylamine ID: ALA2203570
Chembl Id: CHEMBL2203570
PubChem CID: 22670627
Max Phase: Preclinical
Molecular Formula: C12H21N
Molecular Weight: 179.31
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC1(C)C2CC3CC(C2)CC1(N)C3
Standard InChI: InChI=1S/C12H21N/c1-11(2)10-4-8-3-9(5-10)7-12(11,13)6-8/h8-10H,3-7,13H2,1-2H3
Standard InChI Key: KQVMJTUONQGSFE-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 179.31Molecular Weight (Monoisotopic): 179.1674AlogP: 2.55#Rotatable Bonds: 0Polar Surface Area: 26.02Molecular Species: BASEHBA: 1HBD: 1#RO5 Violations: 0HBA (Lipinski): 1HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 10.48CX LogP: 2.21CX LogD: -0.55Aromatic Rings: 0Heavy Atoms: 13QED Weighted: 0.61Np Likeness Score: 0.89
References 1. Torres E, Fernández R, Miquet S, Font-Bardia M, Vanderlinden E, Naesens L, Vázquez S.. (2012) Synthesis and Anti-influenza A Virus Activity of 2,2-Dialkylamantadines and Related Compounds., 3 (12): [PMID:24900429 ] [10.1021/ml300279b ]
