2-(1-adamantyl)butanenitrile; 2-(1-adamantyl)butanimidamide; hydrochloride

Systemtic Name: 2-(1-adamantyl)butanenitrile; 2-(1-adamantyl)butanimidamide; hydrochloride Openeye Name: 2-(1-adamantyl)butanamidine; 2-(1-adamantyl)butanenitrile; hydrochloride CAS Name: 2-(1-adamantyl)butanenitrile; 2-(1-adamantyl)butanimidamide; hydrochloride IUPAC Name: 2-(1-adamantyl)butanenitrile; 2-(1-adamantyl)butanimidamide; hydrochloride Traditional Name: 2-(1-adamantyl)butyramidine; 2-(1-adamantyl)butyronitrile; hydrochloride Formula: C28H46ClN3 MolecularWeight: 460.13794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C12CC3CC(C1)CC(C3)C2.CCC(C(=N)N)C12CC3CC(C1)CC(C3)C2.Cl

Isomeric SMILES

CCC(C#N)C12CC3CC(C1)CC(C3)C2.CCC(C(=N)N)C12CC3CC(C1)CC(C3)C2.Cl

InChI

InChI=1S/C14H24N2.C14H21N.ClH/c1-2-12(13(15)16)14-6-9-3-10(7-14)5-11(4-9)8-14;1-2-13(9-15)14-6-10-3-11(7-14)5-12(4-10)8-14;/h9-12H,2-8H2,1H3,(H3,15,16);10-13H,2-8H2,1H3;1H