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

C17H33N — CID 162964490

IUPAC(5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCC[C@H]1[C@H](CC)C[C@@H](CC)[C@@H]2CCCN12
InChIInChI=1S/C17H33N/c1-4-7-8-10-16-14(5-2)13-15(6-3)17-11-9-12-18(16)17/h14-17H,4-13H2,1-3H3/t14-,15-,16+,17+/m1/s1
InChIKeyCWJWDXLGJFRHSV-NCOADZHNSA-N
MW251.46 g/mol
LogP4.86
Rot. Bonds6

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

(5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 162964490) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID162964490
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCC[C@H]1[C@H](CC)C[C@@H](CC)[C@@H]2CCCN12
InChIInChI=1S/C17H33N/c1-4-7-8-10-16-14(5-2)13-15(6-3)17-11-9-12-18(16)17/h14-17H,4-13H2,1-3H3/t14-,15-,16+,17+/m1/s1
InChIKeyCWJWDXLGJFRHSV-NCOADZHNSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.86
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 (5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 162964490) is (5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCCC[C@H]1[C@H](CC)C[C@@H](CC)[C@@H]2CCCN12.
What is the InChIKey of (5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is CWJWDXLGJFRHSV-NCOADZHNSA-N. The full InChI is InChI=1S/C17H33N/c1-4-7-8-10-16-14(5-2)13-15(6-3)17-11-9-12-18(16)17/h14-17H,4-13H2,1-3H3/t14-,15-,16+,17+/m1/s1.
What are the key properties of (5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 251.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 162964490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).