4-[(4-azanylcyclohexyl)methyl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine; hexanedioic acid

Systemtic Name: 4-[(4-azanylcyclohexyl)methyl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine; hexanedioic acid Openeye Name: adipic acid; 4-[(4-aminocyclohexyl)methyl]cyclohexanamine; azepan-2-one; hexane-1,6-diamine CAS Name: 4-[(4-aminocyclohexyl)methyl]-1-cyclohexanamine; 2-azepanone; hexane-1,6-diamine; hexanedioic acid IUPAC Name: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine; hexanedioic acid Traditional Name: adipic acid; [4-[(4-aminocyclohexyl)methyl]cyclohexyl]amine; 6-aminohexylamine; azepan-2-one Formula: C31H63N5O5 MolecularWeight: 585.86242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NCC1.C1CC(CCC1CC2CCC(CC2)N)N.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C1CCC(=O)NCC1.C1CC(CCC1CC2CCC(CC2)N)N.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C13H26N2.C6H16N2.C6H11NO.C6H10O4/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;7-5-3-1-2-4-6-8;8-6-4-2-1-3-5-7-6;7-5(8)3-1-2-4-6(9)10/h10-13H,1-9,14-15H2;1-8H2;1-5H2,(H,7,8);1-4H2,(H,7,8)(H,9,10)