2-methylundecan-2-amine; (E)-6-(2-methylundecan-2-ylamino)-2-(2-oxidanylideneethyl)icos-3-enoic acid

Systemtic Name: 2-methylundecan-2-amine; (E)-6-(2-methylundecan-2-ylamino)-2-(2-oxidanylideneethyl)icos-3-enoic acid Openeye Name: (E)-6-(1,1-dimethyldecylamino)-2-(2-oxoethyl)icos-3-enoic acid; 2-methylundecan-2-amine CAS Name: 2-methyl-2-undecanamine; (E)-6-(2-methylundecan-2-ylamino)-2-(2-oxoethyl)-3-eicosenoic acid IUPAC Name: 2-methylundecan-2-amine; (E)-6-(2-methylundecan-2-ylamino)-2-(2-oxoethyl)icos-3-enoic acid Traditional Name: 1,1-dimethyldecylamine; (E)-6-(1,1-dimethyldecylamino)-2-(2-ketoethyl)eicos-3-enoic acid Formula: C46H92N2O3 MolecularWeight: 721.23428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CC=CC(CC=O)C(=O)O)NC(C)(C)CCCCCCCCC.CCCCCCCCCC(C)(C)N

Isomeric SMILES

CCCCCCCCCCCCCCC(C/C=C/C(CC=O)C(=O)O)NC(C)(C)CCCCCCCCC.CCCCCCCCCC(C)(C)N

InChI

InChI=1S/C34H65NO3.C12H27N/c1-5-7-9-11-13-14-15-16-17-18-20-22-26-32(27-24-25-31(28-30-36)33(37)38)35-34(3,4)29-23-21-19-12-10-8-6-2;1-4-5-6-7-8-9-10-11-12(2,3)13/h24-25,30-32,35H,5-23,26-29H2,1-4H3,(H,37,38);4-11,13H2,1-3H3/b25-24+;