4-[(4-azanylcyclohexyl)methyl]cyclohexan-1-amine; azepan-2-one; terephthalic acid

Systemtic Name: 4-[(4-azanylcyclohexyl)methyl]cyclohexan-1-amine; azepan-2-one; terephthalic acid Openeye Name: 4-[(4-aminocyclohexyl)methyl]cyclohexanamine; azepan-2-one; terephthalic acid CAS Name: 4-[(4-aminocyclohexyl)methyl]-1-cyclohexanamine; 2-azepanone; terephthalic acid IUPAC Name: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine; azepan-2-one; terephthalic acid Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]amine; azepan-2-one; terephthalic acid Formula: C27H43N3O5 MolecularWeight: 489.64742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NCC1.C1CC(CCC1CC2CCC(CC2)N)N.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(=O)NCC1.C1CC(CCC1CC2CCC(CC2)N)N.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C13H26N2.C8H6O4.C6H11NO/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;9-7(10)5-1-2-6(4-3-5)8(11)12;8-6-4-2-1-3-5-7-6/h10-13H,1-9,14-15H2;1-4H,(H,9,10)(H,11,12);1-5H2,(H,7,8)