3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol

C12H23NO — CID 10655543

IUPAC3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
SMILESC[C@@H]1CC[C@@H](CCCO)N2CCC[C@@H]12
InChIInChI=1S/C12H23NO/c1-10-6-7-11(4-3-9-14)13-8-2-5-12(10)13/h10-12,14H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyCUGACFPMWHBUOF-UTUOFQBUSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds3

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

3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol (PubChem CID 10655543) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
PubChem CID10655543
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
SMILESC[C@@H]1CC[C@@H](CCCO)N2CCC[C@@H]12
InChIInChI=1S/C12H23NO/c1-10-6-7-11(4-3-9-14)13-8-2-5-12(10)13/h10-12,14H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyCUGACFPMWHBUOF-UTUOFQBUSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

(+)-Tashiromine
CID 11019091
(8-Methyl-8-azabicyclo(3.2.1)octan-3-yl)methanol
CID 22056633
(1-methyl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl)methanol
CID 118733448
[(4S,4aR,7S,7aS)-2,4-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-7-yl]methanol
CID 101505038
2-[(5R,6R,8R,8aR)-6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]ethanol
CID 163022801
(-)-Tashiromine
CID 11051891
3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
CID 134827947
[(1R,5S)-8-methyl-8-(2,2,2-trifluoroethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]methanol
CID 169859693
2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol
CID 10607223
3-[(3R,5S,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
CID 11021001
1,2,3,5,6,7,8,8a-Octahydroindolizin-1-ylmethanol
CID 13967743
2-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 54218768

Frequently Asked Questions

What is the IUPAC name of 3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol?
The IUPAC name of 3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol (CID 10655543) is 3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol.
What is the SMILES notation for 3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol?
The canonical SMILES for 3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol is C[C@@H]1CC[C@@H](CCCO)N2CCC[C@@H]12.
What is the InChIKey of 3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol?
The InChIKey is CUGACFPMWHBUOF-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-6-7-11(4-3-9-14)13-8-2-5-12(10)13/h10-12,14H,2-9H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of 3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol?
3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol is sourced from PubChem (CID 10655543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).