8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C15H25N — CID 72998723

IUPAC8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC#CCCCC1CCC(CC)C2CCCN12
InChIInChI=1S/C15H25N/c1-3-5-6-8-14-11-10-13(4-2)15-9-7-12-16(14)15/h1,13-15H,4-12H2,2H3
InChIKeyALWZEJXIFMNAIY-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.44
Rot. Bonds4

About 8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine

8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 72998723) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID72998723
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC#CCCCC1CCC(CC)C2CCCN12
InChIInChI=1S/C15H25N/c1-3-5-6-8-14-11-10-13(4-2)15-9-7-12-16(14)15/h1,13-15H,4-12H2,2H3
InChIKeyALWZEJXIFMNAIY-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 86094387
8-but-3-ynyl-5-[(Z)-pent-2-en-4-ynyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 91726856
(5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)methanol
CID 14265397
1-(8-but-3-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pent-4-yne-2,3-diol
CID 163089559
1-[1-(2-ethylcyclohexyl)azepan-2-yl]propan-2-ol
CID 114338744
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol
CID 162993696
(5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10609151
[2-(2-ethylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 60974547
[4-ethyl-1-(2-ethylcyclopentyl)piperidin-2-yl]methanamine
CID 103351794
3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 579931
2-(2-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 43266460

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 72998723) is 8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C#CCCCC1CCC(CC)C2CCCN12.
What is the InChIKey of 8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is ALWZEJXIFMNAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-5-6-8-14-11-10-13(4-2)15-9-7-12-16(14)15/h1,13-15H,4-12H2,2H3.
What are the key properties of 8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 219.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 72998723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).