(1R,2R)-1-but-1-ynyl-2-methyl-N-(phenylmethyl)cyclohexan-1-amine

Systemtic Name: (1R,2R)-1-but-1-ynyl-2-methyl-N-(phenylmethyl)cyclohexan-1-amine Openeye Name: (1R,2R)-N-benzyl-1-but-1-ynyl-2-methyl-cyclohexanamine CAS Name: (1R,2R)-1-but-1-ynyl-2-methyl-N-(phenylmethyl)-1-cyclohexanamine IUPAC Name: (1R,2R)-N-benzyl-1-but-1-ynyl-2-methylcyclohexan-1-amine Traditional Name: benzyl-[(1R,2R)-1-but-1-ynyl-2-methyl-cyclohexyl]amine Formula: C18H25N MolecularWeight: 255.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1(CCCCC1C)NCC2=CC=CC=C2

Isomeric SMILES

CCC#C[C@]1(CCCC[C@H]1C)NCC2=CC=CC=C2

InChI

InChI=1S/C18H25N/c1-3-4-13-18(14-9-8-10-16(18)2)19-15-17-11-6-5-7-12-17/h5-7,11-12,16,19H,3,8-10,14-15H2,1-2H3/t16-,18-/m1/s1