4-[2-(4-azanylcyclohexyl)propan-2-yl]cyclohexan-1-amine; terephthalic acid

Systemtic Name: 4-[2-(4-azanylcyclohexyl)propan-2-yl]cyclohexan-1-amine; terephthalic acid Openeye Name: 4-[1-(4-aminocyclohexyl)-1-methyl-ethyl]cyclohexanamine; terephthalic acid CAS Name: 4-[2-(4-aminocyclohexyl)propan-2-yl]-1-cyclohexanamine; terephthalic acid IUPAC Name: 4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine; terephthalic acid Traditional Name: [4-[1-(4-aminocyclohexyl)-1-methyl-ethyl]cyclohexyl]amine; terephthalic acid Formula: C23H36N2O4 MolecularWeight: 404.54294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCC(CC1)N)C2CCC(CC2)N.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C1CCC(CC1)N)C2CCC(CC2)N.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C15H30N2.C8H6O4/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;9-7(10)5-1-2-6(4-3-5)8(11)12/h11-14H,3-10,16-17H2,1-2H3;1-4H,(H,9,10)(H,11,12)