(5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C11H21N — CID 163106292

IUPAC(5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC[C@@H]1CC[C@@H](C)[C@@H]2CCCN12
InChIInChI=1S/C11H21N/c1-3-10-7-6-9(2)11-5-4-8-12(10)11/h9-11H,3-8H2,1-2H3/t9-,10-,11+/m1/s1
InChIKeyVHPIYWFQNXKJPH-MXWKQRLJSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds1

About (5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 163106292) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID163106292
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC[C@@H]1CC[C@@H](C)[C@@H]2CCCN12
InChIInChI=1S/C11H21N/c1-3-10-7-6-9(2)11-5-4-8-12(10)11/h9-11H,3-8H2,1-2H3/t9-,10-,11+/m1/s1
InChIKeyVHPIYWFQNXKJPH-MXWKQRLJSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 163106292) is (5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CC[C@@H]1CC[C@@H](C)[C@@H]2CCCN12.
What is the InChIKey of (5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is VHPIYWFQNXKJPH-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H21N/c1-3-10-7-6-9(2)11-5-4-8-12(10)11/h9-11H,3-8H2,1-2H3/t9-,10-,11+/m1/s1.
What are the key properties of (5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 167.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 163106292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).