3,7-bis(methylamino)heptanoic acid; N'-cyclohexyl-N-octadecyl-ethane-1,2-diamine

Systemtic Name: 3,7-bis(methylamino)heptanoic acid; N'-cyclohexyl-N-octadecyl-ethane-1,2-diamine Openeye Name: 3,7-bis(methylamino)heptanoic acid; N'-cyclohexyl-N-octadecyl-ethane-1,2-diamine CAS Name: 3,7-bis(methylamino)heptanoic acid; N'-cyclohexyl-N-octadecylethane-1,2-diamine IUPAC Name: 3,7-bis(methylamino)heptanoic acid; N'-cyclohexyl-N-octadecylethane-1,2-diamine Traditional Name: 3,7-bis(methylamino)enanthic acid; cyclohexyl-[2-(stearylamino)ethyl]amine Formula: C35H74N4O2 MolecularWeight: 582.98766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCCNC1CCCCC1.CNCCCCC(CC(=O)O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCCNC1CCCCC1.CNCCCCC(CC(=O)O)NC

InChI

InChI=1S/C26H54N2.C9H20N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-24-25-28-26-21-18-17-19-22-26;1-10-6-4-3-5-8(11-2)7-9(12)13/h26-28H,2-25H2,1H3;8,10-11H,3-7H2,1-2H3,(H,12,13)