(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H27N — CID 101105424

IUPAC(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCCC[C@@H]1CCCN2CCC[C@H]12
InChIInChI=1S/C14H27N/c1-2-3-4-5-8-13-9-6-11-15-12-7-10-14(13)15/h13-14H,2-12H2,1H3/t13-,14-/m1/s1
InChIKeyIJISPTJPKAGGRP-ZIAGYGMSSA-N
MW209.38 g/mol
LogP3.83
Rot. Bonds5

About (8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 101105424) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID101105424
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCCC[C@@H]1CCCN2CCC[C@H]12
InChIInChI=1S/C14H27N/c1-2-3-4-5-8-13-9-6-11-15-12-7-10-14(13)15/h13-14H,2-12H2,1H3/t13-,14-/m1/s1
InChIKeyIJISPTJPKAGGRP-ZIAGYGMSSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of (8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 101105424) is (8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCCCC[C@@H]1CCCN2CCC[C@H]12.
What is the InChIKey of (8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is IJISPTJPKAGGRP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H27N/c1-2-3-4-5-8-13-9-6-11-15-12-7-10-14(13)15/h13-14H,2-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of (8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 209.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 101105424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).