2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane

C8H16N+ — CID 20575

IUPAC2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane
SMILESC[N+]1(C)CC2CCC1C2
InChIInChI=1S/C8H16N/c1-9(2)6-7-3-4-8(9)5-7/h7-8H,3-6H2,1-2H3/q+1
InChIKeyOZGHXFORYKCXPS-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.25
Rot. Bonds

About 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane

2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane (PubChem CID 20575) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane
PubChem CID20575
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane
SMILESC[N+]1(C)CC2CCC1C2
InChIInChI=1S/C8H16N/c1-9(2)6-7-3-4-8(9)5-7/h7-8H,3-6H2,1-2H3/q+1
InChIKeyOZGHXFORYKCXPS-UHFFFAOYSA-N
XLogP1.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-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 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane?
The IUPAC name of 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane (CID 20575) is 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane is C[N+]1(C)CC2CCC1C2.
What is the InChIKey of 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane?
The InChIKey is OZGHXFORYKCXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N/c1-9(2)6-7-3-4-8(9)5-7/h7-8H,3-6H2,1-2H3/q+1.
What are the key properties of 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane?
2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane has a molecular weight of 126.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane is sourced from PubChem (CID 20575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).