naphthalene;trimethylazanium;chloride

C13H18ClN — CID 89236308

IUPACnaphthalene;trimethylazanium;chloride
SMILESC[NH+](C)C.[Cl-].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C3H9N.ClH/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(2)3;/h1-8H;1-3H3;1H
InChIKeyPNWHINIZIOWFEQ-UHFFFAOYSA-N
MW223.75 g/mol
LogP-1.40
Rot. Bonds

About naphthalene;trimethylazanium;chloride

naphthalene;trimethylazanium;chloride (PubChem CID 89236308) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is naphthalene;trimethylazanium;chloride.

Molecular Properties

Compound Namenaphthalene;trimethylazanium;chloride
PubChem CID89236308
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Namenaphthalene;trimethylazanium;chloride
SMILESC[NH+](C)C.[Cl-].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C3H9N.ClH/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(2)3;/h1-8H;1-3H3;1H
InChIKeyPNWHINIZIOWFEQ-UHFFFAOYSA-N
XLogP-1.40
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze naphthalene;trimethylazanium;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 naphthalene;trimethylazanium;chloride?
The IUPAC name of naphthalene;trimethylazanium;chloride (CID 89236308) is naphthalene;trimethylazanium;chloride.
What is the SMILES notation for naphthalene;trimethylazanium;chloride?
The canonical SMILES for naphthalene;trimethylazanium;chloride is C[NH+](C)C.[Cl-].c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;trimethylazanium;chloride?
The InChIKey is PNWHINIZIOWFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C3H9N.ClH/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(2)3;/h1-8H;1-3H3;1H.
What are the key properties of naphthalene;trimethylazanium;chloride?
naphthalene;trimethylazanium;chloride has a molecular weight of 223.75 g/mol, XLogP of -1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;trimethylazanium;chloride is sourced from PubChem (CID 89236308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).