4-[[4-[1,3-benzodioxol-5-ylmethyl(2-methylpropyl)amino]cyclohexyl]methyl]cyclohexan-1-amine

Systemtic Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(2-methylpropyl)amino]cyclohexyl]methyl]cyclohexan-1-amine Openeye Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(isobutyl)amino]cyclohexyl]methyl]cyclohexanamine CAS Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(2-methylpropyl)amino]cyclohexyl]methyl]-1-cyclohexanamine IUPAC Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(2-methylpropyl)amino]cyclohexyl]methyl]cyclohexan-1-amine Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-isobutyl-piperonyl-amine Formula: C25H40N2O2 MolecularWeight: 400.5973

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC2=C(C=C1)OCO2)C3CCC(CC3)CC4CCC(CC4)N

Isomeric SMILES

CC(C)CN(CC1=CC2=C(C=C1)OCO2)C3CCC(CC3)CC4CCC(CC4)N

InChI

InChI=1S/C25H40N2O2/c1-18(2)15-27(16-21-7-12-24-25(14-21)29-17-28-24)23-10-5-20(6-11-23)13-19-3-8-22(26)9-4-19/h7,12,14,18-20,22-23H,3-6,8-11,13,15-17,26H2,1-2H3