1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; pyridine-3-carboxylic acid

Systemtic Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; pyridine-3-carboxylic acid Openeye Name: 1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-amine; nicotinic acid CAS Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; 3-pyridinecarboxylic acid IUPAC Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; pyridine-3-carboxylic acid Traditional Name: [1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-yl]amine; nicotinic acid Formula: C27H50N4O2 MolecularWeight: 462.7115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H45N3.C6H5NO2/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2;8-6(9)5-2-1-3-7-4-5/h19-20H,6-18,22H2,1-5H3;1-4H,(H,8,9)