8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C13H23N — CID 86094387

IUPAC8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CCC1CCC(CC)C2CCCN12
InChIInChI=1S/C13H23N/c1-3-6-12-9-8-11(4-2)13-7-5-10-14(12)13/h3,11-13H,1,4-10H2,2H3
InChIKeyHPJFICLOMFNDQB-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.22
Rot. Bonds3

About 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine

8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 86094387) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID86094387
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CCC1CCC(CC)C2CCCN12
InChIInChI=1S/C13H23N/c1-3-6-12-9-8-11(4-2)13-7-5-10-14(12)13/h3,11-13H,1,4-10H2,2H3
InChIKeyHPJFICLOMFNDQB-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine with MolForge

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

Launch Full Analysis

Related Compounds

8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 72998723
(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 44597339
(5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)methanol
CID 14265397
1-[1-(2-ethylcyclohexyl)azepan-2-yl]propan-2-ol
CID 114338744
1-ethyl-2-prop-2-enylpyrrolidine
CID 11829524
[2-(2-ethylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 60974547
(8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 76850671
8-but-3-ynyl-5-[(Z)-pent-2-en-4-ynyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 91726856
(5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10609151
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543796
[4-ethyl-1-(2-ethylcyclopentyl)piperidin-2-yl]methanamine
CID 103351794

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 86094387) is 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C=CCC1CCC(CC)C2CCCN12.
What is the InChIKey of 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is HPJFICLOMFNDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-6-12-9-8-11(4-2)13-7-5-10-14(12)13/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 193.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 86094387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).