2-chloroethyl(dimethyl)azanium chloride

C4H11Cl2N — CID 20717

IUPAC2-chloroethyl(dimethyl)azanium chloride
SMILESC[NH+](C)CCCl.[Cl-]
InChIInChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
InChIKeyLQLJZSJKRYTKTP-UHFFFAOYSA-N
MW144.04 g/mol
LogP-3.63
Rot. Bonds2

About 2-chloroethyl(dimethyl)azanium chloride

2-chloroethyl(dimethyl)azanium chloride (PubChem CID 20717) has the molecular formula C4H11Cl2N and a molecular weight of 144.04 g/mol. Its IUPAC name is 2-chloroethyl(dimethyl)azanium chloride.

Molecular Properties

Compound Name2-chloroethyl(dimethyl)azanium chloride
PubChem CID20717
Molecular FormulaC4H11Cl2N
Molecular Weight144.04 g/mol
Exact Mass143.03
IUPAC Name2-chloroethyl(dimethyl)azanium chloride
SMILESC[NH+](C)CCCl.[Cl-]
InChIInChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
InChIKeyLQLJZSJKRYTKTP-UHFFFAOYSA-N
XLogP-3.63
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 5-3.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloroethyl(dimethyl)azanium 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 2-chloroethyl(dimethyl)azanium chloride?
The IUPAC name of 2-chloroethyl(dimethyl)azanium chloride (CID 20717) is 2-chloroethyl(dimethyl)azanium chloride.
What is the SMILES notation for 2-chloroethyl(dimethyl)azanium chloride?
The canonical SMILES for 2-chloroethyl(dimethyl)azanium chloride is C[NH+](C)CCCl.[Cl-].
What is the InChIKey of 2-chloroethyl(dimethyl)azanium chloride?
The InChIKey is LQLJZSJKRYTKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H.
What are the key properties of 2-chloroethyl(dimethyl)azanium chloride?
2-chloroethyl(dimethyl)azanium chloride has a molecular weight of 144.04 g/mol, XLogP of -3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl(dimethyl)azanium chloride is sourced from PubChem (CID 20717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).