[(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol

C14H27NO — CID 14265404

IUPAC[(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
SMILESCCCCC[C@@H]1CC[C@H](CO)[C@@H]2CCCN12
InChIInChI=1S/C14H27NO/c1-2-3-4-6-13-9-8-12(11-16)14-7-5-10-15(13)14/h12-14,16H,2-11H2,1H3/t12-,13-,14+/m1/s1
InChIKeyPTFCSLDJBZNWEH-MCIONIFRSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds5

About [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol

[(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol (PubChem CID 14265404) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol.

Molecular Properties

Compound Name[(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
PubChem CID14265404
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
SMILESCCCCC[C@@H]1CC[C@H](CO)[C@@H]2CCCN12
InChIInChI=1S/C14H27NO/c1-2-3-4-6-13-9-8-12(11-16)14-7-5-10-15(13)14/h12-14,16H,2-11H2,1H3/t12-,13-,14+/m1/s1
InChIKeyPTFCSLDJBZNWEH-MCIONIFRSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol with MolForge

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Related Compounds

(+)-Tashiromine
CID 11019091
(-)-Tashiromine
CID 11051891
(3aS,6S,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol
CID 118709201
(1-methyl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl)methanol
CID 118733448
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
(6S,7S,8R,8aS)-6-Ethylperhydroindolizine-7,8-diol
CID 71481121
(5-Heptyl-6-methyloctahydroindolizin-8-yl)methanol
CID 172418437
Ecgoninol
CID 71586763
[(3R,5R)-3-(4-fluorocyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol
CID 140444764
[(7S,8S,8aR)-7-(difluoromethyl)-8-methyl-2,3,5,6,7,8a-hexahydro-1H-indolizin-8-yl]methanol
CID 178821240
[(7R,8S,8aR)-7-(difluoromethyl)-8-methyl-2,3,5,6,7,8a-hexahydro-1H-indolizin-8-yl]methanol
CID 178821319

Frequently Asked Questions

What is the IUPAC name of [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
The IUPAC name of [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol (CID 14265404) is [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol.
What is the SMILES notation for [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
The canonical SMILES for [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol is CCCCC[C@@H]1CC[C@H](CO)[C@@H]2CCCN12.
What is the InChIKey of [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
The InChIKey is PTFCSLDJBZNWEH-MCIONIFRSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-6-13-9-8-12(11-16)14-7-5-10-15(13)14/h12-14,16H,2-11H2,1H3/t12-,13-,14+/m1/s1.
What are the key properties of [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
[(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol is sourced from PubChem (CID 14265404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).