5-methyl-1,3-bis(2-methylhexyl)-1,3-diazinan-5-amine; terephthalic acid

Systemtic Name: 5-methyl-1,3-bis(2-methylhexyl)-1,3-diazinan-5-amine; terephthalic acid Openeye Name: 5-methyl-1,3-bis(2-methylhexyl)hexahydropyrimidin-5-amine; terephthalic acid CAS Name: 5-methyl-1,3-bis(2-methylhexyl)-1,3-diazinan-5-amine; terephthalic acid IUPAC Name: 5-methyl-1,3-bis(2-methylhexyl)-1,3-diazinan-5-amine; terephthalic acid Traditional Name: [5-methyl-1,3-bis(2-methylhexyl)hexahydropyrimidin-5-yl]amine; terephthalic acid Formula: C27H47N3O4 MolecularWeight: 477.67978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CN1CC(CN(C1)CC(C)CCCC)(C)N.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(C)CN1CC(CN(C1)CC(C)CCCC)(C)N.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C19H41N3.C8H6O4/c1-6-8-10-17(3)12-21-14-19(5,20)15-22(16-21)13-18(4)11-9-7-2;9-7(10)5-1-2-6(4-3-5)8(11)12/h17-18H,6-16,20H2,1-5H3;1-4H,(H,9,10)(H,11,12)