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

Systemtic Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(2-ethylbutyl)amino]cyclohexyl]methyl]cyclohexan-1-amine Openeye Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(2-ethylbutyl)amino]cyclohexyl]methyl]cyclohexanamine CAS Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(2-ethylbutyl)amino]cyclohexyl]methyl]-1-cyclohexanamine IUPAC Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(2-ethylbutyl)amino]cyclohexyl]methyl]cyclohexan-1-amine Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-(2-ethylbutyl)-piperonyl-amine Formula: C27H44N2O2 MolecularWeight: 428.65046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N2O2/c1-3-20(4-2)17-29(18-23-9-14-26-27(16-23)31-19-30-26)25-12-7-22(8-13-25)15-21-5-10-24(28)11-6-21/h9,14,16,20-22,24-25H,3-8,10-13,15,17-19,28H2,1-2H3