3,5-dimethyladamantane-1-carbonitrile; 3,5-dimethyladamantane-1-carboximidamide; hydrochloride

Systemtic Name: 3,5-dimethyladamantane-1-carbonitrile; 3,5-dimethyladamantane-1-carboximidamide; hydrochloride Openeye Name: 3,5-dimethyladamantane-1-carbonitrile; 3,5-dimethyladamantane-1-carboxamidine; hydrochloride CAS Name: 3,5-dimethyl-1-adamantanecarbonitrile; 3,5-dimethyl-1-adamantanecarboximidamide; hydrochloride IUPAC Name: 3,5-dimethyladamantane-1-carbonitrile; 3,5-dimethyladamantane-1-carboximidamide; hydrochloride Traditional Name: 3,5-dimethyladamantane-1-carbonitrile; 3,5-dimethyladamantane-1-carboxamidine; hydrochloride Formula: C26H42ClN3 MolecularWeight: 432.08478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2.C13H19N.ClH/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15;1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)9-14;/h9H,3-8H2,1-2H3,(H3,14,15);10H,3-8H2,1-2H3;1H