(5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine

C14H25N — CID 10632144

IUPAC(5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine
SMILESCCCCCC[C@@H]1C=CC[C@@H]2CCCN21
InChIInChI=1S/C14H25N/c1-2-3-4-5-8-13-9-6-10-14-11-7-12-15(13)14/h6,9,13-14H,2-5,7-8,10-12H2,1H3/t13-,14-/m1/s1
InChIKeyNAFYCXQMSOHLCL-ZIAGYGMSSA-N
MW207.36 g/mol
LogP3.75
Rot. Bonds5

About (5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine

(5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine (PubChem CID 10632144) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name(5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine
PubChem CID10632144
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine
SMILESCCCCCC[C@@H]1C=CC[C@@H]2CCCN21
InChIInChI=1S/C14H25N/c1-2-3-4-5-8-13-9-6-10-14-11-7-12-15(13)14/h6,9,13-14H,2-5,7-8,10-12H2,1H3/t13-,14-/m1/s1
InChIKeyNAFYCXQMSOHLCL-ZIAGYGMSSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine?
The IUPAC name of (5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine (CID 10632144) is (5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine.
What is the SMILES notation for (5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine?
The canonical SMILES for (5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine is CCCCCC[C@@H]1C=CC[C@@H]2CCCN21.
What is the InChIKey of (5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine?
The InChIKey is NAFYCXQMSOHLCL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H25N/c1-2-3-4-5-8-13-9-6-10-14-11-7-12-15(13)14/h6,9,13-14H,2-5,7-8,10-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of (5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine?
(5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine has a molecular weight of 207.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8aS)-5-hexyl-1,2,3,5,8,8a-hexahydroindolizine is sourced from PubChem (CID 10632144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).