1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride

C10H19Cl2N — CID 71373897

IUPAC1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride
SMILESC[N+]1(C)C2CCCC1(Cl)CCC2.[Cl-]
InChIInChI=1S/C10H19ClN.ClH/c1-12(2)9-5-3-7-10(12,11)8-4-6-9;/h9H,3-8H2,1-2H3;1H/q+1;/p-1
InChIKeyMJNOKAQAZUPFOD-UHFFFAOYSA-M
MW224.17 g/mol
LogP-0.26
Rot. Bonds

About 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride

1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride (PubChem CID 71373897) has the molecular formula C10H19Cl2N and a molecular weight of 224.17 g/mol. Its IUPAC name is 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride.

Molecular Properties

Compound Name1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride
PubChem CID71373897
Molecular FormulaC10H19Cl2N
Molecular Weight224.17 g/mol
Exact Mass223.09
IUPAC Name1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride
SMILESC[N+]1(C)C2CCCC1(Cl)CCC2.[Cl-]
InChIInChI=1S/C10H19ClN.ClH/c1-12(2)9-5-3-7-10(12,11)8-4-6-9;/h9H,3-8H2,1-2H3;1H/q+1;/p-1
InChIKeyMJNOKAQAZUPFOD-UHFFFAOYSA-M
XLogP-0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride 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 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride?
The IUPAC name of 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride (CID 71373897) is 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride.
What is the SMILES notation for 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride?
The canonical SMILES for 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride is C[N+]1(C)C2CCCC1(Cl)CCC2.[Cl-].
What is the InChIKey of 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride?
The InChIKey is MJNOKAQAZUPFOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19ClN.ClH/c1-12(2)9-5-3-7-10(12,11)8-4-6-9;/h9H,3-8H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride?
1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride has a molecular weight of 224.17 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane chloride is sourced from PubChem (CID 71373897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).