3-azabicyclo[3.2.2]nonane

C8H15N — CID 9240

IUPAC3-azabicyclo[3.2.2]nonane
SMILESC1CC2CCC1CNC2
InChIInChI=1S/C8H15N/c1-2-8-4-3-7(1)5-9-6-8/h7-9H,1-6H2
InChIKeyLICHZOBEUWVYSY-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.40
Rot. Bonds

About 3-azabicyclo[3.2.2]nonane

3-azabicyclo[3.2.2]nonane (PubChem CID 9240) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 3-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name3-azabicyclo[3.2.2]nonane
PubChem CID9240
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name3-azabicyclo[3.2.2]nonane
SMILESC1CC2CCC1CNC2
InChIInChI=1S/C8H15N/c1-2-8-4-3-7(1)5-9-6-8/h7-9H,1-6H2
InChIKeyLICHZOBEUWVYSY-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.2.2]nonane?
The IUPAC name of 3-azabicyclo[3.2.2]nonane (CID 9240) is 3-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 3-azabicyclo[3.2.2]nonane?
The canonical SMILES for 3-azabicyclo[3.2.2]nonane is C1CC2CCC1CNC2.
What is the InChIKey of 3-azabicyclo[3.2.2]nonane?
The InChIKey is LICHZOBEUWVYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-8-4-3-7(1)5-9-6-8/h7-9H,1-6H2.
What are the key properties of 3-azabicyclo[3.2.2]nonane?
3-azabicyclo[3.2.2]nonane has a molecular weight of 125.22 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 9240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).