5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol

C17H33NO — CID 91727410

IUPAC5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol
SMILESCCCCC1CCC(CCCC(C)O)N2CCCC12
InChIInChI=1S/C17H33NO/c1-3-4-8-15-11-12-16(9-5-7-14(2)19)18-13-6-10-17(15)18/h14-17,19H,3-13H2,1-2H3
InChIKeyNRILVOBFDXJGHY-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.97
Rot. Bonds7

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

5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol (PubChem CID 91727410) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol
PubChem CID91727410
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol
SMILESCCCCC1CCC(CCCC(C)O)N2CCCC12
InChIInChI=1S/C17H33NO/c1-3-4-8-15-11-12-16(9-5-7-14(2)19)18-13-6-10-17(15)18/h14-17,19H,3-13H2,1-2H3
InChIKeyNRILVOBFDXJGHY-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

(+)-Tashiromine
CID 11019091
(-)-Tashiromine
CID 11051891
2-[(5R,6R,8R,8aR)-6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]ethanol
CID 163022801
[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11116286
(5-Heptyl-6-methyloctahydroindolizin-8-yl)methanol
CID 172418437
Ecgoninol
CID 71586763
2-(Hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 253338
2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol
CID 10607223
2-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 54218768
4-[(5R,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]butan-1-ol
CID 10536480
((8S,8AS)-octahydroindolizin-8-yl)methanol
CID 45088442
2-(Hydroxymethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 428643

Frequently Asked Questions

What is the IUPAC name of 5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol?
The IUPAC name of 5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol (CID 91727410) is 5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol.
What is the SMILES notation for 5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol?
The canonical SMILES for 5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol is CCCCC1CCC(CCCC(C)O)N2CCCC12.
What is the InChIKey of 5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol?
The InChIKey is NRILVOBFDXJGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-4-8-15-11-12-16(9-5-7-14(2)19)18-13-6-10-17(15)18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol?
5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol has a molecular weight of 267.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)pentan-2-ol is sourced from PubChem (CID 91727410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).