2-(3,5-dimethyl-1-adamantyl)ethanenitrile; 2-(3,5-dimethyl-1-adamantyl)ethanimidamide; hydrochloride

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)ethanenitrile; 2-(3,5-dimethyl-1-adamantyl)ethanimidamide; hydrochloride Openeye Name: 2-(3,5-dimethyl-1-adamantyl)acetamidine; 2-(3,5-dimethyl-1-adamantyl)acetonitrile; hydrochloride CAS Name: 2-(3,5-dimethyl-1-adamantyl)acetonitrile; 2-(3,5-dimethyl-1-adamantyl)ethanimidamide; hydrochloride IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)acetonitrile; 2-(3,5-dimethyl-1-adamantyl)ethanimidamide; hydrochloride Traditional Name: 2-(3,5-dimethyl-1-adamantyl)acetamidine; 2-(3,5-dimethyl-1-adamantyl)acetonitrile; hydrochloride Formula: C28H46ClN3 MolecularWeight: 460.13794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2.C14H21N.ClH/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16;1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15;/h10H,3-9H2,1-2H3,(H3,15,16);11H,3,5-10H2,1-2H3;1H