6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

C12H24N2O — CID 143932223

IUPAC6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESCCCCNC1CC(O)C2CCCN2C1
InChIInChI=1S/C12H24N2O/c1-2-3-6-13-10-8-12(15)11-5-4-7-14(11)9-10/h10-13,15H,2-9H2,1H3
InChIKeyVKWJEYJYPWFLQS-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.97
Rot. Bonds4

About 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (PubChem CID 143932223) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.

Molecular Properties

Compound Name6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
PubChem CID143932223
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESCCCCNC1CC(O)C2CCCN2C1
InChIInChI=1S/C12H24N2O/c1-2-3-6-13-10-8-12(15)11-5-4-7-14(11)9-10/h10-13,15H,2-9H2,1H3
InChIKeyVKWJEYJYPWFLQS-UHFFFAOYSA-N
XLogP0.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol 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 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The IUPAC name of 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (CID 143932223) is 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.
What is the SMILES notation for 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The canonical SMILES for 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is CCCCNC1CC(O)C2CCCN2C1.
What is the InChIKey of 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The InChIKey is VKWJEYJYPWFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-6-13-10-8-12(15)11-5-4-7-14(11)9-10/h10-13,15H,2-9H2,1H3.
What are the key properties of 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol has a molecular weight of 212.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is sourced from PubChem (CID 143932223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).