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

C13H25N — CID 67906511

IUPAC3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCCC1CCC2CCCCN12
InChIInChI=1S/C13H25N/c1-2-3-4-7-12-9-10-13-8-5-6-11-14(12)13/h12-13H,2-11H2,1H3
InChIKeyXDJIPVDQQJMXFP-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.58
Rot. Bonds4

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

3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 67906511) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID67906511
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCCC1CCC2CCCCN12
InChIInChI=1S/C13H25N/c1-2-3-4-7-12-9-10-13-8-5-6-11-14(12)13/h12-13H,2-11H2,1H3
InChIKeyXDJIPVDQQJMXFP-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 579931
3-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 10536398
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
(3R,5S,9aS)-5-methyl-3-nonyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 101108976
1-ethyl-2-hexadecylpiperidine
CID 159279911
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
(5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101105438
(2R,7R,9R)-7-pentyl-1,6-diazatricyclo[7.4.0.02,6]tridecan-5-one
CID 10515784
(3R,6S,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 101119479
2-(1-cyclopentylpyrrolidin-2-yl)ethanamine
CID 73440122

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 67906511) is 3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCCCC1CCC2CCCCN12.
What is the InChIKey of 3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is XDJIPVDQQJMXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-2-3-4-7-12-9-10-13-8-5-6-11-14(12)13/h12-13H,2-11H2,1H3.
What are the key properties of 3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 195.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 67906511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).