3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; hexanedioic acid; octadecanoic acid

Systemtic Name: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; hexanedioic acid; octadecanoic acid Openeye Name: adipic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; stearic acid CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; hexanedioic acid; octadecanoic acid IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; hexanedioic acid; octadecanoic acid Traditional Name: adipic acid; [3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amine; stearic acid Formula: C34H68N2O6 MolecularWeight: 600.91352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CC1(CC(CC(C1)(C)CN)N)C.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CC1(CC(CC(C1)(C)CN)N)C.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C18H36O2.C10H22N2.C6H10O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-9(2)4-8(12)5-10(3,6-9)7-11;7-5(8)3-1-2-4-6(9)10/h2-17H2,1H3,(H,19,20);8H,4-7,11-12H2,1-3H3;1-4H2,(H,7,8)(H,9,10)