N'-[1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

Systemtic Name: N'-[1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine Openeye Name: N'-[1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine CAS Name: N'-[1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine IUPAC Name: N'-[1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine Traditional Name: [1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-yl]-[2-[[4-(trifluoromethyl)benzyl]amino]ethyl]amine Formula: C31H55F3N4 MolecularWeight: 540.79041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)NCCNCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)NCCNCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C31H55F3N4/c1-6-10-12-26(8-3)21-37-23-30(5,24-38(25-37)22-27(9-4)13-11-7-2)36-19-18-35-20-28-14-16-29(17-15-28)31(32,33)34/h14-17,26-27,35-36H,6-13,18-25H2,1-5H3