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

C11H19N — CID 170221751

IUPAC4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESCCC1CCCC2C=CCCN21
InChIInChI=1S/C11H19N/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3,6,10-11H,2,4-5,7-9H2,1H3
InChIKeyHDGKNXAMUKVKAC-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.58
Rot. Bonds1

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

4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine (PubChem CID 170221751) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine.

Molecular Properties

Compound Name4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
PubChem CID170221751
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESCCC1CCCC2C=CCCN21
InChIInChI=1S/C11H19N/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3,6,10-11H,2,4-5,7-9H2,1H3
InChIKeyHDGKNXAMUKVKAC-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine with MolForge

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Launch Full Analysis

Related Compounds

N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine
CID 114620815
N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114620816
1-cyclohex-2-en-1-yl-2-methylpyrrolidine
CID 126995474
4-ethyl-2,3,4,6,9,9a-hexahydro-1H-quinolizine
CID 135255034
(3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine
CID 104975560
1-cyclohex-2-en-1-yl-2-methylpiperidin-3-amine
CID 130835288
(1-cyclohex-2-en-1-yl-6-methylpiperidin-2-yl)methanamine
CID 114620565
1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid
CID 114620467
N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine
CID 114620809
1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile
CID 114620002
2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol
CID 115647939
methyl (2S)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxylate
CID 95628939

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The IUPAC name of 4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine (CID 170221751) is 4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine.
What is the SMILES notation for 4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The canonical SMILES for 4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine is CCC1CCCC2C=CCCN21.
What is the InChIKey of 4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The InChIKey is HDGKNXAMUKVKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3,6,10-11H,2,4-5,7-9H2,1H3.
What are the key properties of 4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine has a molecular weight of 165.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine is sourced from PubChem (CID 170221751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).