(5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C16H31N — CID 162913556

IUPAC(5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC[C@H]1[C@H](CC)C[C@@H](CC)[C@@H]2CCCN12
InChIInChI=1S/C16H31N/c1-4-7-9-15-13(5-2)12-14(6-3)16-10-8-11-17(15)16/h13-16H,4-12H2,1-3H3/t13-,14-,15+,16+/m1/s1
InChIKeyFGFYXTGPWYOCEB-WCVJEAGWSA-N
MW237.43 g/mol
LogP4.47
Rot. Bonds5

About (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 162913556) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID162913556
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC[C@H]1[C@H](CC)C[C@@H](CC)[C@@H]2CCCN12
InChIInChI=1S/C16H31N/c1-4-7-9-15-13(5-2)12-14(6-3)16-10-8-11-17(15)16/h13-16H,4-12H2,1-3H3/t13-,14-,15+,16+/m1/s1
InChIKeyFGFYXTGPWYOCEB-WCVJEAGWSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 162913556) is (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCC[C@H]1[C@H](CC)C[C@@H](CC)[C@@H]2CCCN12.
What is the InChIKey of (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is FGFYXTGPWYOCEB-WCVJEAGWSA-N. The full InChI is InChI=1S/C16H31N/c1-4-7-9-15-13(5-2)12-14(6-3)16-10-8-11-17(15)16/h13-16H,4-12H2,1-3H3/t13-,14-,15+,16+/m1/s1.
What are the key properties of (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 237.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 162913556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).