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

C20H34N2 — CID 135254955

IUPAC3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine
SMILESCC1CCCN2CC(CC3CCC4CC=CCN4C3)CCC12
InChIInChI=1S/C20H34N2/c1-16-5-4-12-22-15-18(8-10-20(16)22)13-17-7-9-19-6-2-3-11-21(19)14-17/h2-3,16-20H,4-15H2,1H3
InChIKeyYGLZLVRGTPITMK-UHFFFAOYSA-N
MW302.51 g/mol
LogP3.93
Rot. Bonds2

About 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-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-3-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine (PubChem CID 135254955) 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-3-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine.

Molecular Properties

Compound Name3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine
PubChem CID135254955
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine
SMILESCC1CCCN2CC(CC3CCC4CC=CCN4C3)CCC12
InChIInChI=1S/C20H34N2/c1-16-5-4-12-22-15-18(8-10-20(16)22)13-17-7-9-19-6-2-3-11-21(19)14-17/h2-3,16-20H,4-15H2,1H3
InChIKeyYGLZLVRGTPITMK-UHFFFAOYSA-N
XLogP3.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-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-3-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine (CID 135254955) is 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-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-3-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-3-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine is CC1CCCN2CC(CC3CCC4CC=CCN4C3)CCC12.
What is the InChIKey of 3-[(9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine?
The InChIKey is YGLZLVRGTPITMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-16-5-4-12-22-15-18(8-10-20(16)22)13-17-7-9-19-6-2-3-11-21(19)14-17/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-3-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-3-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine has a molecular weight of 302.51 g/mol, XLogP of 3.93, 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-3-yl)methyl]-2,3,4,6,9,9a-hexahydro-1H-quinolizine is sourced from PubChem (CID 135254955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).