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

C10H19N — CID 3754655

IUPAC4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCC1CCCC2CCCCN12
InChIInChI=1S/C10H19N/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-10H,2-8H2,1H3
InChIKeyNVAZQVKYKZTHQP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.41
Rot. Bonds

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

4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 3754655) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID3754655
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCC1CCCC2CCCCN12
InChIInChI=1S/C10H19N/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-10H,2-8H2,1H3
InChIKeyNVAZQVKYKZTHQP-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of 4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 3754655) is 4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for 4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for 4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is CC1CCCC2CCCCN12.
What is the InChIKey of 4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is NVAZQVKYKZTHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-10H,2-8H2,1H3.
What are the key properties of 4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 153.27 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 3754655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).