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

C11H21N — CID 20980731

IUPAC1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCCC1CCCN2CCCCC12
InChIInChI=1S/C11H21N/c1-2-10-6-5-9-12-8-4-3-7-11(10)12/h10-11H,2-9H2,1H3
InChIKeyCZDLEULQEORRLH-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds1

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

1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 20980731) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID20980731
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCCC1CCCN2CCCCC12
InChIInChI=1S/C11H21N/c1-2-10-6-5-9-12-8-4-3-7-11(10)12/h10-11H,2-9H2,1H3
InChIKeyCZDLEULQEORRLH-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]ethanamine
CID 66523440
methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
CID 115537102
1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine
CID 63863007
1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine
CID 66203078
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]propan-1-amine
CID 99805392
N-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methyl]propan-2-amine
CID 63863250
1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine
CID 61470287
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (2S)-2-chlorobutanoate
CID 11873269
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]butan-1-amine;dihydrochloride
CID 112756302

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of 1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 20980731) is 1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for 1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for 1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is CCC1CCCN2CCCCC12.
What is the InChIKey of 1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is CZDLEULQEORRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-10-6-5-9-12-8-4-3-7-11(10)12/h10-11H,2-9H2,1H3.
What are the key properties of 1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 167.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 20980731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).