2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol

C17H33NO — CID 85205277

IUPAC2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
SMILESCCCCCC1C(CC)CC(CCO)C2CCCN12
InChIInChI=1S/C17H33NO/c1-3-5-6-8-16-14(4-2)13-15(10-12-19)17-9-7-11-18(16)17/h14-17,19H,3-13H2,1-2H3
InChIKeyBKSKLPMHTCDKMA-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.83
Rot. Bonds7

About 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol

2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol (PubChem CID 85205277) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol.

Molecular Properties

Compound Name2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
PubChem CID85205277
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
SMILESCCCCCC1C(CC)CC(CCO)C2CCCN12
InChIInChI=1S/C17H33NO/c1-3-5-6-8-16-14(4-2)13-15(10-12-19)17-9-7-11-18(16)17/h14-17,19H,3-13H2,1-2H3
InChIKeyBKSKLPMHTCDKMA-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol with MolForge

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Related Compounds

2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
CID 91735954
(5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10609151
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
(5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)methanol
CID 14265397
16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane
CID 134242210
(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 44597339
(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 101105424
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
2-[(1S,3aS,5aS,6R,9aR)-6-pentyl-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol
CID 101487400

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol?
The IUPAC name of 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol (CID 85205277) is 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol.
What is the SMILES notation for 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol?
The canonical SMILES for 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol is CCCCCC1C(CC)CC(CCO)C2CCCN12.
What is the InChIKey of 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol?
The InChIKey is BKSKLPMHTCDKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-5-6-8-16-14(4-2)13-15(10-12-19)17-9-7-11-18(16)17/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol?
2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol has a molecular weight of 267.46 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol is sourced from PubChem (CID 85205277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).