2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol

C11H21NO — CID 171937168

IUPAC2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol
SMILESCN1C2CCCC1CC(CCO)C2
InChIInChI=1S/C11H21NO/c1-12-10-3-2-4-11(12)8-9(7-10)5-6-13/h9-11,13H,2-8H2,1H3
InChIKeyDISSFSIFQNCDLY-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.63
Rot. Bonds2

About 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol

2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol (PubChem CID 171937168) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol.

Molecular Properties

Compound Name2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol
PubChem CID171937168
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol
SMILESCN1C2CCCC1CC(CCO)C2
InChIInChI=1S/C11H21NO/c1-12-10-3-2-4-11(12)8-9(7-10)5-6-13/h9-11,13H,2-8H2,1H3
InChIKeyDISSFSIFQNCDLY-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
2-(3-propan-2-ylcyclobutyl)ethanol
CID 70261378
1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol
CID 69438471
tert-butyl 3-(2-hydroxyethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 135396485
3-(2,2-dicyclohexylethyl)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 86096115
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)ethanol
CID 67836758
9-methyl-3-[(4-methyl-1,3-dioxetan-2-yl)methyl]-9-azabicyclo[3.3.1]nonane
CID 71027107
(1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane
CID 143603452
2-(3-methylcyclobutyl)ethanol
CID 59157244
1-cyclopropyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]methanamine
CID 61013267
ethyl 3-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748293
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol?
The IUPAC name of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol (CID 171937168) is 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol.
What is the SMILES notation for 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol?
The canonical SMILES for 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol is CN1C2CCCC1CC(CCO)C2.
What is the InChIKey of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol?
The InChIKey is DISSFSIFQNCDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-12-10-3-2-4-11(12)8-9(7-10)5-6-13/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol?
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol is sourced from PubChem (CID 171937168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).