2-azoniabicyclo[2.2.1]heptane

C6H12N+ — CID 19799009

IUPAC2-azoniabicyclo[2.2.1]heptane
SMILESC1CC2CC1C[NH2+]2
InChIInChI=1S/C6H11N/c1-2-6-3-5(1)4-7-6/h5-7H,1-4H2/p+1
InChIKeyGYLMCBOAXJVARF-UHFFFAOYSA-O
MW98.17 g/mol
LogP-0.27
Rot. Bonds

About 2-azoniabicyclo[2.2.1]heptane

2-azoniabicyclo[2.2.1]heptane (PubChem CID 19799009) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is 2-azoniabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-azoniabicyclo[2.2.1]heptane
PubChem CID19799009
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Name2-azoniabicyclo[2.2.1]heptane
SMILESC1CC2CC1C[NH2+]2
InChIInChI=1S/C6H11N/c1-2-6-3-5(1)4-7-6/h5-7H,1-4H2/p+1
InChIKeyGYLMCBOAXJVARF-UHFFFAOYSA-O
XLogP-0.27
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-azoniabicyclo[2.2.1]heptane 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 2-azoniabicyclo[2.2.1]heptane?
The IUPAC name of 2-azoniabicyclo[2.2.1]heptane (CID 19799009) is 2-azoniabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-azoniabicyclo[2.2.1]heptane?
The canonical SMILES for 2-azoniabicyclo[2.2.1]heptane is C1CC2CC1C[NH2+]2.
What is the InChIKey of 2-azoniabicyclo[2.2.1]heptane?
The InChIKey is GYLMCBOAXJVARF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N/c1-2-6-3-5(1)4-7-6/h5-7H,1-4H2/p+1.
What are the key properties of 2-azoniabicyclo[2.2.1]heptane?
2-azoniabicyclo[2.2.1]heptane has a molecular weight of 98.17 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azoniabicyclo[2.2.1]heptane is sourced from PubChem (CID 19799009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).