(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol

C8H15NO — CID 102096557

IUPAC(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol
SMILESCN1C[C@@H]2CC[C@H]1C[C@@H]2O
InChIInChI=1S/C8H15NO/c1-9-5-6-2-3-7(9)4-8(6)10/h6-8,10H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKeySXQGCSCEYOWSCM-FXQIFTODSA-N
MW141.21 g/mol
LogP0.46
Rot. Bonds

About (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol

(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol (PubChem CID 102096557) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol.

Molecular Properties

Compound Name(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol
PubChem CID102096557
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol
SMILESCN1C[C@@H]2CC[C@H]1C[C@@H]2O
InChIInChI=1S/C8H15NO/c1-9-5-6-2-3-7(9)4-8(6)10/h6-8,10H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKeySXQGCSCEYOWSCM-FXQIFTODSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol with MolForge

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Related Compounds

2-Azabicyclo[2.2.2]octan-5-ol hydrochloride
CID 21447132
(2-Methyl-2-azabicyclo(2.2.2)octan-6-yl)methanol
CID 84650272
2-(Methylpiperidyl)bicyclo[3.3.1]nonan-9-ol
CID 2832764
[(5R,6S)-6-fluoro-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]-methylborinic acid
CID 167369711
[(5S,6S)-6-fluoro-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]-methylborinic acid
CID 167369944
1,2-Dimethyldecahydroquinoline-5-ol
CID 13244764
2-(2,2,2-Trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol
CID 117050342
1-Methyl-trans-decahydroquinol-5(equat)-ol
CID 581045
1,2,3,3-Tetramethyl-2-azabicyclo[2.2.2]octan-5-ol
CID 12493453
2-Methyl-2-azabicyclo[2.2.2]octan-5-ol
CID 14762842
(1S,4S,5R)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol
CID 14762843
1-(5-Hydroxy-2-azabicyclo[2.2.2]octan-2-yl)-2,2-dimethylpropan-1-one
CID 20271666

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol?
The IUPAC name of (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol (CID 102096557) is (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol.
What is the SMILES notation for (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol?
The canonical SMILES for (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol is CN1C[C@@H]2CC[C@H]1C[C@@H]2O.
What is the InChIKey of (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol?
The InChIKey is SXQGCSCEYOWSCM-FXQIFTODSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-6-2-3-7(9)4-8(6)10/h6-8,10H,2-5H2,1H3/t6-,7-,8-/m0/s1.
What are the key properties of (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol?
(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol has a molecular weight of 141.21 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol is sourced from PubChem (CID 102096557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).