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

C10H19NO — CID 541567

IUPAC3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2CCCC(C1)C2(C)O
InChIInChI=1S/C10H19NO/c1-10(12)8-4-3-5-9(10)7-11(2)6-8/h8-9,12H,3-7H2,1-2H3
InChIKeyYPTZTMROSGJQEY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds

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

3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 541567) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID541567
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2CCCC(C1)C2(C)O
InChIInChI=1S/C10H19NO/c1-10(12)8-4-3-5-9(10)7-11(2)6-8/h8-9,12H,3-7H2,1-2H3
InChIKeyYPTZTMROSGJQEY-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol (CID 541567) is 3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol is CN1CC2CCCC(C1)C2(C)O.
What is the InChIKey of 3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is YPTZTMROSGJQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(12)8-4-3-5-9(10)7-11(2)6-8/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol?
3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 169.27 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 541567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).