(1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol

C8H15NO — CID 55287376

IUPAC(1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol
SMILESOC1[C@H]2CCC[C@@H]1NCC2
InChIInChI=1S/C8H15NO/c10-8-6-2-1-3-7(8)9-5-4-6/h6-10H,1-5H2/t6-,7-,8?/m0/s1
InChIKeyQXLIZDPMFGVNOQ-WPZUCAASSA-N
MW141.21 g/mol
LogP0.51
Rot. Bonds

About (1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol

(1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 55287376) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol
PubChem CID55287376
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol
SMILESOC1[C@H]2CCC[C@@H]1NCC2
InChIInChI=1S/C8H15NO/c10-8-6-2-1-3-7(8)9-5-4-6/h6-10H,1-5H2/t6-,7-,8?/m0/s1
InChIKeyQXLIZDPMFGVNOQ-WPZUCAASSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol (CID 55287376) is (1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol is OC1[C@H]2CCC[C@@H]1NCC2.
What is the InChIKey of (1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is QXLIZDPMFGVNOQ-WPZUCAASSA-N. The full InChI is InChI=1S/C8H15NO/c10-8-6-2-1-3-7(8)9-5-4-6/h6-10H,1-5H2/t6-,7-,8?/m0/s1.
What are the key properties of (1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol?
(1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 141.21 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 55287376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).