1-azoniabicyclo[3.2.2]nonane

C8H16N+ — CID 19705330

IUPAC1-azoniabicyclo[3.2.2]nonane
SMILESC1CC2CC[NH+](C1)CC2
InChIInChI=1S/C8H15N/c1-2-8-3-6-9(5-1)7-4-8/h8H,1-7H2/p+1
InChIKeyRASGVORPWAYILQ-UHFFFAOYSA-O
MW126.22 g/mol
LogP0.08
Rot. Bonds

About 1-azoniabicyclo[3.2.2]nonane

1-azoniabicyclo[3.2.2]nonane (PubChem CID 19705330) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is 1-azoniabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name1-azoniabicyclo[3.2.2]nonane
PubChem CID19705330
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name1-azoniabicyclo[3.2.2]nonane
SMILESC1CC2CC[NH+](C1)CC2
InChIInChI=1S/C8H15N/c1-2-8-3-6-9(5-1)7-4-8/h8H,1-7H2/p+1
InChIKeyRASGVORPWAYILQ-UHFFFAOYSA-O
XLogP0.08
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-azoniabicyclo[3.2.2]nonane?
The IUPAC name of 1-azoniabicyclo[3.2.2]nonane (CID 19705330) is 1-azoniabicyclo[3.2.2]nonane.
What is the SMILES notation for 1-azoniabicyclo[3.2.2]nonane?
The canonical SMILES for 1-azoniabicyclo[3.2.2]nonane is C1CC2CC[NH+](C1)CC2.
What is the InChIKey of 1-azoniabicyclo[3.2.2]nonane?
The InChIKey is RASGVORPWAYILQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N/c1-2-8-3-6-9(5-1)7-4-8/h8H,1-7H2/p+1.
What are the key properties of 1-azoniabicyclo[3.2.2]nonane?
1-azoniabicyclo[3.2.2]nonane has a molecular weight of 126.22 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azoniabicyclo[3.2.2]nonane is sourced from PubChem (CID 19705330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).