3-methyl-3-azabicyclo[3.3.1]nonan-9-ol

C9H17NO — CID 541966

IUPAC3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2CCCC(C1)C2O
InChIInChI=1S/C9H17NO/c1-10-5-7-3-2-4-8(6-10)9(7)11/h7-9,11H,2-6H2,1H3
InChIKeyGTSORJFWHKEXQH-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds

About 3-methyl-3-azabicyclo[3.3.1]nonan-9-ol

3-methyl-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 541966) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID541966
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2CCCC(C1)C2O
InChIInChI=1S/C9H17NO/c1-10-5-7-3-2-4-8(6-10)9(7)11/h7-9,11H,2-6H2,1H3
InChIKeyGTSORJFWHKEXQH-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 3-methyl-3-azabicyclo[3.3.1]nonan-9-ol (CID 541966) is 3-methyl-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 3-methyl-3-azabicyclo[3.3.1]nonan-9-ol is CN1CC2CCCC(C1)C2O.
What is the InChIKey of 3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is GTSORJFWHKEXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-5-7-3-2-4-8(6-10)9(7)11/h7-9,11H,2-6H2,1H3.
What are the key properties of 3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
3-methyl-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 541966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).