(3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol

C8H15NO — CID 96839852

IUPAC(3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol
SMILESO[C@@H]1C[C@@H]2CCCN(C1)C2
InChIInChI=1S/C8H15NO/c10-8-4-7-2-1-3-9(5-7)6-8/h7-8,10H,1-6H2/t7-,8+/m0/s1
InChIKeyDRLCBKGAHHDWTQ-JGVFFNPUSA-N
MW141.21 g/mol
LogP0.46
Rot. Bonds

About (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol

(3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 96839852) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol
PubChem CID96839852
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol
SMILESO[C@@H]1C[C@@H]2CCCN(C1)C2
InChIInChI=1S/C8H15NO/c10-8-4-7-2-1-3-9(5-7)6-8/h7-8,10H,1-6H2/t7-,8+/m0/s1
InChIKeyDRLCBKGAHHDWTQ-JGVFFNPUSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol (CID 96839852) is (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol is O[C@@H]1C[C@@H]2CCCN(C1)C2.
What is the InChIKey of (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is DRLCBKGAHHDWTQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO/c10-8-4-7-2-1-3-9(5-7)6-8/h7-8,10H,1-6H2/t7-,8+/m0/s1.
What are the key properties of (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol?
(3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 96839852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).