3-(3,5-dimethyl-1-adamantyl)propanenitrile; 3-(3,5-dimethyl-1-adamantyl)propanimidamide; hydrochloride

Systemtic Name: 3-(3,5-dimethyl-1-adamantyl)propanenitrile; 3-(3,5-dimethyl-1-adamantyl)propanimidamide; hydrochloride Openeye Name: 3-(3,5-dimethyl-1-adamantyl)propanamidine; 3-(3,5-dimethyl-1-adamantyl)propanenitrile; hydrochloride CAS Name: 3-(3,5-dimethyl-1-adamantyl)propanenitrile; 3-(3,5-dimethyl-1-adamantyl)propanimidamide; hydrochloride IUPAC Name: 3-(3,5-dimethyl-1-adamantyl)propanenitrile; 3-(3,5-dimethyl-1-adamantyl)propanimidamide; hydrochloride Traditional Name: 3-(3,5-dimethyl-1-adamantyl)propionamidine; 3-(3,5-dimethyl-1-adamantyl)propionitrile; hydrochloride Formula: C30H50ClN3 MolecularWeight: 488.1911

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CCC#N)C.CC12CC3CC(C1)(CC(C3)(C2)CCC(=N)N)C.Cl

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CCC#N)C.CC12CC3CC(C1)(CC(C3)(C2)CCC(=N)N)C.Cl

InChI

InChI=1S/C15H26N2.C15H23N.ClH/c1-13-5-11-6-14(2,8-13)10-15(7-11,9-13)4-3-12(16)17;1-13-6-12-7-14(2,9-13)11-15(8-12,10-13)4-3-5-16;/h11H,3-10H2,1-2H3,(H3,16,17);12H,3-4,6-11H2,1-2H3;1H