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

Systemtic Name: 4-[2-(4-azanylcyclohexyl)propan-2-yl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine; hexanedioic acid Openeye Name: adipic acid; 4-[1-(4-aminocyclohexyl)-1-methyl-ethyl]cyclohexanamine; azepan-2-one; hexane-1,6-diamine CAS Name: 4-[2-(4-aminocyclohexyl)propan-2-yl]-1-cyclohexanamine; 2-azepanone; hexane-1,6-diamine; hexanedioic acid IUPAC Name: 4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine; hexanedioic acid Traditional Name: adipic acid; [4-[1-(4-aminocyclohexyl)-1-methyl-ethyl]cyclohexyl]amine; 6-aminohexylamine; azepan-2-one Formula: C33H67N5O5 MolecularWeight: 613.91558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCC(CC1)N)C2CCC(CC2)N.C1CCC(=O)NCC1.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(C1CCC(CC1)N)C2CCC(CC2)N.C1CCC(=O)NCC1.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C15H30N2.C6H16N2.C6H11NO.C6H10O4/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;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/h11-14H,3-10,16-17H2,1-2H3;1-8H2;1-5H2,(H,7,8);1-4H2,(H,7,8)(H,9,10)