(1S,3R)-N5-propyl-N1,N3-bis(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine

Systemtic Name: (1S,3R)-N5-propyl-N1,N3-bis(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine Openeye Name: (1S,3R)-N5-propyl-N1,N3-bis(2-pyridylmethyl)cyclohexane-1,3,5-triamine CAS Name: (1S,3R)-N5-propyl-N1,N3-bis(2-pyridinylmethyl)cyclohexane-1,3,5-triamine IUPAC Name: (1S,3R)-5-N-propyl-1-N,3-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine Traditional Name: [(3R,5S)-3,5-bis(2-pyridylmethylamino)cyclohexyl]-propyl-amine Formula: C21H31N5 MolecularWeight: 353.50434

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CC(CC(C1)NCC2=CC=CC=N2)NCC3=CC=CC=N3

Isomeric SMILES

CCCNC1C[C@@H](C[C@@H](C1)NCC2=CC=CC=N2)NCC3=CC=CC=N3

InChI

InChI=1S/C21H31N5/c1-2-9-22-19-12-20(25-15-17-7-3-5-10-23-17)14-21(13-19)26-16-18-8-4-6-11-24-18/h3-8,10-11,19-22,25-26H,2,9,12-16H2,1H3/t19?,20-,21+