3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol

C10H19NO — CID 115013655

IUPAC3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCC1CC2CN(C)CC(C1)C2O
InChIInChI=1S/C10H19NO/c1-7-3-8-5-11(2)6-9(4-7)10(8)12/h7-10,12H,3-6H2,1-2H3
InChIKeyFXLHZQCSGKNKOC-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.95
Rot. Bonds

About 3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol

3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 115013655) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID115013655
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCC1CC2CN(C)CC(C1)C2O
InChIInChI=1S/C10H19NO/c1-7-3-8-5-11(2)6-9(4-7)10(8)12/h7-10,12H,3-6H2,1-2H3
InChIKeyFXLHZQCSGKNKOC-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Azabicyclo[3.3.1]nonan-9-ol
CID 18342470
Cyclohexanol, 2-piperidinomethyl-, hydrochloride
CID 201697
2-(Piperidin-1-ylmethyl)cyclohexan-1-ol
CID 201698
3-Methyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 541966
9-Hydroxy-3-azoniabicyclo[3.3.1]nonane chloride
CID 129744532
[(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol
CID 134979125
[(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol
CID 135037248
4,4-Dimethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65530691
4-Methyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65530695
4-Propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65531466
4-Methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65531659
4-Propyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65532049

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol (CID 115013655) is 3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol is CC1CC2CN(C)CC(C1)C2O.
What is the InChIKey of 3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is FXLHZQCSGKNKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-3-8-5-11(2)6-9(4-7)10(8)12/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 169.27 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 115013655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).