3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C10H19N — CID 3729587

IUPAC3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCC1CCC2CCCCN2C1
InChIInChI=1S/C10H19N/c1-9-5-6-10-4-2-3-7-11(10)8-9/h9-10H,2-8H2,1H3
InChIKeyJRKMVLFFQOHRHM-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds

About 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 3729587) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID3729587
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCC1CCC2CCCCN2C1
InChIInChI=1S/C10H19N/c1-9-5-6-10-4-2-3-7-11(10)8-9/h9-10H,2-8H2,1H3
InChIKeyJRKMVLFFQOHRHM-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 3729587) is 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is CC1CCC2CCCCN2C1.
What is the InChIKey of 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is JRKMVLFFQOHRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9-5-6-10-4-2-3-7-11(10)8-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 153.27 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 3729587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).