2-ethyl-2-azabicyclo[2.2.2]octan-5-ol

C9H17NO — CID 117050321

IUPAC2-ethyl-2-azabicyclo[2.2.2]octan-5-ol
SMILESCCN1CC2CCC1CC2O
InChIInChI=1S/C9H17NO/c1-2-10-6-7-3-4-8(10)5-9(7)11/h7-9,11H,2-6H2,1H3
InChIKeyKVNRYBZLBXMLHS-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds1

About 2-ethyl-2-azabicyclo[2.2.2]octan-5-ol

2-ethyl-2-azabicyclo[2.2.2]octan-5-ol (PubChem CID 117050321) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-ethyl-2-azabicyclo[2.2.2]octan-5-ol.

Molecular Properties

Compound Name2-ethyl-2-azabicyclo[2.2.2]octan-5-ol
PubChem CID117050321
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-ethyl-2-azabicyclo[2.2.2]octan-5-ol
SMILESCCN1CC2CCC1CC2O
InChIInChI=1S/C9H17NO/c1-2-10-6-7-3-4-8(10)5-9(7)11/h7-9,11H,2-6H2,1H3
InChIKeyKVNRYBZLBXMLHS-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide
CID 2832763
2-Azabicyclo[2.2.2]octan-5-ol hydrochloride
CID 21447132
2-Piperidnobicyclo[3.3.1]nonan-9-ol
CID 566968
(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
1,2-Dimethyl-cis-decahydroquinolin-5-ol hydrochloride
CID 129789971
2-(2,2,2-Trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol
CID 117050342
3-[4-(Fluoromethyl)piperidin-1-yl]-4-propylcyclohexan-1-ol
CID 165499417
3-(4-Fluoropiperidin-1-yl)-4-propylcyclohexan-1-ol
CID 165716964

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-azabicyclo[2.2.2]octan-5-ol?
The IUPAC name of 2-ethyl-2-azabicyclo[2.2.2]octan-5-ol (CID 117050321) is 2-ethyl-2-azabicyclo[2.2.2]octan-5-ol.
What is the SMILES notation for 2-ethyl-2-azabicyclo[2.2.2]octan-5-ol?
The canonical SMILES for 2-ethyl-2-azabicyclo[2.2.2]octan-5-ol is CCN1CC2CCC1CC2O.
What is the InChIKey of 2-ethyl-2-azabicyclo[2.2.2]octan-5-ol?
The InChIKey is KVNRYBZLBXMLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-10-6-7-3-4-8(10)5-9(7)11/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-ethyl-2-azabicyclo[2.2.2]octan-5-ol?
2-ethyl-2-azabicyclo[2.2.2]octan-5-ol has a molecular weight of 155.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-azabicyclo[2.2.2]octan-5-ol is sourced from PubChem (CID 117050321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).