Molecule ID: 160614

IUPAC Name: (1S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene

Description: The molecule is a quinolizidine alkaloid obtained by formal dehydrogenation at the 5,6-position of sparteine. It is a metabolite of sparteine found in human urine and plasma. It has a role as a human xenobiotic metabolite. It is a quinolizidine alkaloid, a tertiary amino compound and an organic heterotetracyclic compound. It derives from a sparteine.

SMILES: C1=C2[C@H]3C[C@@H](CN2CCC1)[C@@H]1CCCCN1C3

SELFIES: [C][=C][C@H1][C][C@@H1][Branch1][#Branch2][C][N][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][Ring1][#C]

InChI: InChI=1S/C15H24N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h5,12-13,15H,1-4,6-11H2/t12-,13-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 6.5 Ų
- LogP: 2.5