tetrakis(2-chloroethyl)azanium chloride

C8H16Cl5N — CID 11965145

IUPACtetrakis(2-chloroethyl)azanium chloride
SMILESClCC[N+](CCCl)(CCCl)CCCl.[Cl-]
InChIInChI=1S/C8H16Cl4N.ClH/c9-1-5-13(6-2-10,7-3-11)8-4-12;/h1-8H2;1H/q+1;/p-1
InChIKeyCDNUGPJAXKAZDS-UHFFFAOYSA-M
MW303.49 g/mol
LogP-0.24
Rot. Bonds8

About tetrakis(2-chloroethyl)azanium chloride

tetrakis(2-chloroethyl)azanium chloride (PubChem CID 11965145) has the molecular formula C8H16Cl5N and a molecular weight of 303.49 g/mol. Its IUPAC name is tetrakis(2-chloroethyl)azanium chloride.

Molecular Properties

Compound Nametetrakis(2-chloroethyl)azanium chloride
PubChem CID11965145
Molecular FormulaC8H16Cl5N
Molecular Weight303.49 g/mol
Exact Mass300.97
IUPAC Nametetrakis(2-chloroethyl)azanium chloride
SMILESClCC[N+](CCCl)(CCCl)CCCl.[Cl-]
InChIInChI=1S/C8H16Cl4N.ClH/c9-1-5-13(6-2-10,7-3-11)8-4-12;/h1-8H2;1H/q+1;/p-1
InChIKeyCDNUGPJAXKAZDS-UHFFFAOYSA-M
XLogP-0.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetrakis(2-chloroethyl)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 tetrakis(2-chloroethyl)azanium chloride?
The IUPAC name of tetrakis(2-chloroethyl)azanium chloride (CID 11965145) is tetrakis(2-chloroethyl)azanium chloride.
What is the SMILES notation for tetrakis(2-chloroethyl)azanium chloride?
The canonical SMILES for tetrakis(2-chloroethyl)azanium chloride is ClCC[N+](CCCl)(CCCl)CCCl.[Cl-].
What is the InChIKey of tetrakis(2-chloroethyl)azanium chloride?
The InChIKey is CDNUGPJAXKAZDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16Cl4N.ClH/c9-1-5-13(6-2-10,7-3-11)8-4-12;/h1-8H2;1H/q+1;/p-1.
What are the key properties of tetrakis(2-chloroethyl)azanium chloride?
tetrakis(2-chloroethyl)azanium chloride has a molecular weight of 303.49 g/mol, XLogP of -0.24, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-chloroethyl)azanium chloride is sourced from PubChem (CID 11965145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).