(7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline

C23H40N2 — CID 163117787

About (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline

(7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline (PubChem CID 163117787) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline.

Molecular Properties

• Compound Name: (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline
• PubChem CID: 163117787
• Molecular Formula: C23H40N2
• Molecular Weight: 344.59 g/mol
• Exact Mass: 344.32
• IUPAC Name: (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline
• SMILES: CC1C[C@@H](C)C[C@@H]2CCC[C@@H](CC3=C4CCCN(C)[C@H]4C[C@@H](C)C3)N12
• InChI: InChI=1S/C23H40N2/c1-16-11-18(3)25-20(13-16)7-5-8-21(25)15-19-12-17(2)14-23-22(19)9-6-10-24(23)4/h16-18,20-21,23H,5-15H2,1-4H3/t16-,17+,18?,20+,21+,23+/m1/s1
• InChIKey: ALCQTKOVSOCZKP-CVXFXIKUSA-N
• XLogP: 5.24
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.59
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline?

The IUPAC name of (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline (CID 163117787) is (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline.

What is the SMILES notation for (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline?

The canonical SMILES for (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline is CC1C[C@@H](C)C[C@@H]2CCC[C@@H](CC3=C4CCCN(C)[C@H]4C[C@@H](C)C3)N12.

What is the InChIKey of (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline?

The InChIKey is ALCQTKOVSOCZKP-CVXFXIKUSA-N. The full InChI is InChI=1S/C23H40N2/c1-16-11-18(3)25-20(13-16)7-5-8-21(25)15-19-12-17(2)14-23-22(19)9-6-10-24(23)4/h16-18,20-21,23H,5-15H2,1-4H3/t16-,17+,18?,20+,21+,23+/m1/s1.

What are the key properties of (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline?

(7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline has a molecular weight of 344.59 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,8aS)-5-[[(4S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline is sourced from PubChem (CID 163117787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).