(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

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Related Compounds

(3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine
CID 124565675
(3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 130631700
1-azabicyclo[3.2.1]octane;oxalic acid
CID 22917774
1-azabicyclo[4.3.1]decane-8-carboxylic acid
CID 19848697
1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid
CID 19075558
1-azabicyclo[4.3.1]decane-8-carbonitrile
CID 19848685
(5R,6S)-1-azabicyclo[3.2.1]octan-6-ol
CID 45087323
(3R)-1-azabicyclo[3.2.1]octan-3-amine
CID 154092746
(2R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2,8-diol
CID 10820830
1,4,8,11,14,18,23,27-octazapentacyclo[9.9.9.24,8.214,18.223,27]pentatriacontane-6,16,25-triol
CID 169229353
(5S)-1-azabicyclo[3.3.1]nonan-3-one
CID 93485807
1-azabicyclo[3.2.1]octane-3-carboxamide
CID 45084388

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).