3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine

C20H34N2 — CID 130270945

About 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine

3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine (PubChem CID 130270945) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine.

Molecular Properties

• Compound Name: 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine
• PubChem CID: 130270945
• Molecular Formula: C20H34N2
• Molecular Weight: 302.51 g/mol
• Exact Mass: 302.27
• IUPAC Name: 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine
• SMILES: CC1CCCN2C(CC3CCC4CC=CCN4C3)CCCC12
• InChI: InChI=1S/C20H34N2/c1-16-6-5-13-22-19(8-4-9-20(16)22)14-17-10-11-18-7-2-3-12-21(18)15-17/h2-3,16-20H,4-15H2,1H3
• InChIKey: JZSOSLHNLSUHSG-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.51
LogP ≤ 5	4.07
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 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine?

The IUPAC name of 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine (CID 130270945) is 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine.

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

The canonical SMILES for 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine is CC1CCCN2C(CC3CCC4CC=CCN4C3)CCCC12.

What is the InChIKey of 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine?

The InChIKey is JZSOSLHNLSUHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-16-6-5-13-22-19(8-4-9-20(16)22)14-17-10-11-18-7-2-3-12-21(18)15-17/h2-3,16-20H,4-15H2,1H3.

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

3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine has a molecular weight of 302.51 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine is sourced from PubChem (CID 130270945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).