3-(2,12-dimethyl-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-3,11,13,15-tetraen-7-yl)propan-1-amine

Systemtic Name: 3-(2,12-dimethyl-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-3,11,13,15-tetraen-7-yl)propan-1-amine Openeye Name: 3-(2,12-dimethyl-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-3,11,13,15-tetraen-7-yl)propan-1-amine CAS Name: 3-(2,12-dimethyl-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-3,11,13,15-tetraen-7-yl)-1-propanamine IUPAC Name: 3-(2,12-dimethyl-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-3,11,13,15-tetraen-7-yl)propan-1-amine Traditional Name: 3-(2,12-dimethyl-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-3,11,13,15-tetraen-7-yl)propylamine Formula: C18H31N5 MolecularWeight: 317.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C=CC=C(N2)C(=NCCCN(CCC=N1)CCCN)C

Isomeric SMILES

CC1C2C=CC=C(N2)C(=NCCCN(CCC=N1)CCCN)C

InChI

InChI=1S/C18H31N5/c1-15-17-7-3-8-18(22-17)16(2)21-11-6-14-23(12-4-9-19)13-5-10-20-15/h3,7-8,10,15,17,22H,4-6,9,11-14,19H2,1-2H3