3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol

C12H23NO — CID 130146772

IUPAC3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCCN1CC2(C)CCCC(C)(C1)C2O
InChIInChI=1S/C12H23NO/c1-4-13-8-11(2)6-5-7-12(3,9-13)10(11)14/h10,14H,4-9H2,1-3H3
InChIKeySPMRNGIRJVHBSE-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds1

About 3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol

3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 130146772) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID130146772
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCCN1CC2(C)CCCC(C)(C1)C2O
InChIInChI=1S/C12H23NO/c1-4-13-8-11(2)6-5-7-12(3,9-13)10(11)14/h10,14H,4-9H2,1-3H3
InChIKeySPMRNGIRJVHBSE-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-azaspiro[3.3]heptane
CID 130337259
ethane;1-ethyl-3-fluoro-3-methylazetidine
CID 178155660
1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid
CID 70582524
ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane
CID 91180969
1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol
CID 67394862
1-ethyl-4,4-dimethylpyrrolidin-3-ol
CID 121207274
ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane
CID 168970742
5-ethyl-5-azaspiro[2.4]heptan-7-ol
CID 59200734
ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine
CID 144847221
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
1-ethyl-4,4-difluoropiperidin-3-ol
CID 130634849
ethane;2-ethyl-8-methyl-2,8-diazaspiro[3.5]nonane
CID 177048791

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol (CID 130146772) is 3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol is CCN1CC2(C)CCCC(C)(C1)C2O.
What is the InChIKey of 3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is SPMRNGIRJVHBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13-8-11(2)6-5-7-12(3,9-13)10(11)14/h10,14H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 130146772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).