3-[1-(docosylamino)propan-2-ylamino]propanenitrile

Systemtic Name: 3-[1-(docosylamino)propan-2-ylamino]propanenitrile Openeye Name: 3-[[2-(docosylamino)-1-methyl-ethyl]amino]propanenitrile CAS Name: 3-[1-(docosylamino)propan-2-ylamino]propanenitrile IUPAC Name: 3-[1-(docosylamino)propan-2-ylamino]propanenitrile Traditional Name: 3-[[2-(behenylamino)-1-methyl-ethyl]amino]propionitrile Formula: C28H57N3 MolecularWeight: 435.77228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCNCC(C)NCCC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCNCC(C)NCCC#N

InChI

InChI=1S/C28H57N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30-27-28(2)31-26-23-24-29/h28,30-31H,3-23,25-27H2,1-2H3