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

C15H27N — CID 73229805

IUPAC8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CCC1CCC(CCCC)C2CCCN12
InChIInChI=1S/C15H27N/c1-3-5-8-13-10-11-14(7-4-2)16-12-6-9-15(13)16/h4,13-15H,2-3,5-12H2,1H3
InChIKeyNGXFGKMXEDDWAN-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.00
Rot. Bonds5

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

8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 73229805) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID73229805
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CCC1CCC(CCCC)C2CCCN12
InChIInChI=1S/C15H27N/c1-3-5-8-13-10-11-14(7-4-2)16-12-6-9-15(13)16/h4,13-15H,2-3,5-12H2,1H3
InChIKeyNGXFGKMXEDDWAN-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-butyl-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

Frequently Asked Questions

What is the IUPAC name of 8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 73229805) is 8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C=CCC1CCC(CCCC)C2CCCN12.
What is the InChIKey of 8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is NGXFGKMXEDDWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-8-13-10-11-14(7-4-2)16-12-6-9-15(13)16/h4,13-15H,2-3,5-12H2,1H3.
What are the key properties of 8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 221.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 73229805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).