2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol

C17H33NO — CID 91735954

IUPAC2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
SMILESCCCCC1CC(CCO)C2CCCN2C1CCC
InChIInChI=1S/C17H33NO/c1-3-5-8-14-13-15(10-12-19)17-9-6-11-18(17)16(14)7-4-2/h14-17,19H,3-13H2,1-2H3
InChIKeyHIUNMXJXUCEVNQ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.83
Rot. Bonds7

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

2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol (PubChem CID 91735954) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol.

Molecular Properties

Compound Name2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
PubChem CID91735954
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
SMILESCCCCC1CC(CCO)C2CCCN2C1CCC
InChIInChI=1S/C17H33NO/c1-3-5-8-14-13-15(10-12-19)17-9-6-11-18(17)16(14)7-4-2/h14-17,19H,3-13H2,1-2H3
InChIKeyHIUNMXJXUCEVNQ-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

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

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Related Compounds

2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
CID 85205277
(5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10609151
(5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)methanol
CID 14265397
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 44597339
(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 134860293
2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane
CID 134242210
(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 101105424
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562

Frequently Asked Questions

What is the IUPAC name of 2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol?
The IUPAC name of 2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol (CID 91735954) is 2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol.
What is the SMILES notation for 2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol?
The canonical SMILES for 2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol is CCCCC1CC(CCO)C2CCCN2C1CCC.
What is the InChIKey of 2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol?
The InChIKey is HIUNMXJXUCEVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-5-8-14-13-15(10-12-19)17-9-6-11-18(17)16(14)7-4-2/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol?
2-(6-butyl-5-propyl-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-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol is sourced from PubChem (CID 91735954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).