4-[1-(4-azanyl-3-methyl-cyclohexyl)propyl]-2-methyl-cyclohexan-1-amine; benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[1-(4-azanyl-3-methyl-cyclohexyl)propyl]-2-methyl-cyclohexan-1-amine; benzene-1,3-dicarboxylic acid Openeye Name: 4-[1-(4-amino-3-methyl-cyclohexyl)propyl]-2-methyl-cyclohexanamine; isophthalic acid CAS Name: 4-[1-(4-amino-3-methylcyclohexyl)propyl]-2-methyl-1-cyclohexanamine; benzene-1,3-dicarboxylic acid IUPAC Name: 4-[1-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine; benzene-1,3-dicarboxylic acid Traditional Name: [4-[1-(4-amino-3-methyl-cyclohexyl)propyl]-2-methyl-cyclohexyl]amine; isophthalic acid Formula: C25H40N2O4 MolecularWeight: 432.5961

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCC(C(C1)C)N)C2CCC(C(C2)C)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C1CCC(C(C1)C)N)C2CCC(C(C2)C)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C17H34N2.C8H6O4/c1-4-15(13-5-7-16(18)11(2)9-13)14-6-8-17(19)12(3)10-14;9-7(10)5-2-1-3-6(4-5)8(11)12/h11-17H,4-10,18-19H2,1-3H3;1-4H,(H,9,10)(H,11,12)