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

C12H23N — CID 579931

IUPAC3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCC1CCC2CCCCN12
InChIInChI=1S/C12H23N/c1-2-3-6-11-8-9-12-7-4-5-10-13(11)12/h11-12H,2-10H2,1H3
InChIKeyBRCJXNQWQYCLHP-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.19
Rot. Bonds3

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

3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 579931) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID579931
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCC1CCC2CCCCN12
InChIInChI=1S/C12H23N/c1-2-3-6-11-8-9-12-7-4-5-10-13(11)12/h11-12H,2-10H2,1H3
InChIKeyBRCJXNQWQYCLHP-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-butyl-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

3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 67906511
3-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 10536398
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
(3R,6S,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 101119479
3-(1-cyclopentylpyrrolidin-2-yl)propan-1-amine
CID 63764075
3-(2-chloroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 139644525
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
CID 75576493
2-(1-cyclopentylpyrrolidin-2-yl)ethanamine
CID 73440122
3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
CID 134827947
(3R,5S,9aS)-5-methyl-3-nonyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 101108976
4-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 112546179
[(3R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methanol
CID 169000645

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 579931) is 3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCCC1CCC2CCCCN12.
What is the InChIKey of 3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is BRCJXNQWQYCLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-6-11-8-9-12-7-4-5-10-13(11)12/h11-12H,2-10H2,1H3.
What are the key properties of 3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 181.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 579931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).