ethanoic acid; 3-methyl-N-[[4-[[(3-methylcyclohexyl)amino]methyl]cyclohexyl]methyl]cyclohexan-1-amine

Systemtic Name: ethanoic acid; 3-methyl-N-[[4-[[(3-methylcyclohexyl)amino]methyl]cyclohexyl]methyl]cyclohexan-1-amine Openeye Name: acetic acid; 3-methyl-N-[[4-[[(3-methylcyclohexyl)amino]methyl]cyclohexyl]methyl]cyclohexanamine CAS Name: acetic acid; 3-methyl-N-[[4-[[(3-methylcyclohexyl)amino]methyl]cyclohexyl]methyl]-1-cyclohexanamine IUPAC Name: acetic acid; 3-methyl-N-[[4-[[(3-methylcyclohexyl)amino]methyl]cyclohexyl]methyl]cyclohexan-1-amine Traditional Name: acetic acid; (3-methylcyclohexyl)-[[4-[[(3-methylcyclohexyl)amino]methyl]cyclohexyl]methyl]amine Formula: C26H50N2O4 MolecularWeight: 454.6862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)NCC2CCC(CC2)CNC3CCCC(C3)C.CC(=O)O.CC(=O)O

Isomeric SMILES

CC1CCCC(C1)NCC2CCC(CC2)CNC3CCCC(C3)C.CC(=O)O.CC(=O)O

InChI

InChI=1S/C22H42N2.2C2H4O2/c1-17-5-3-7-21(13-17)23-15-19-9-11-20(12-10-19)16-24-22-8-4-6-18(2)14-22;2*1-2(3)4/h17-24H,3-16H2,1-2H3;2*1H3,(H,3,4)