2-chloro-N-(2-chloroethyl)ethanimine

C4H7Cl2N — CID 22094706

IUPAC2-chloro-N-(2-chloroethyl)ethanimine
SMILESClC/C=N/CCCl
InChIInChI=1S/C4H7Cl2N/c5-1-3-7-4-2-6/h3H,1-2,4H2/b7-3+
InChIKeyWOBBGVSNMSVYMT-XVNBXDOJSA-N
MW140.01 g/mol
LogP1.53
Rot. Bonds3

About 2-chloro-N-(2-chloroethyl)ethanimine

2-chloro-N-(2-chloroethyl)ethanimine (PubChem CID 22094706) has the molecular formula C4H7Cl2N and a molecular weight of 140.01 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)ethanimine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)ethanimine
PubChem CID22094706
Molecular FormulaC4H7Cl2N
Molecular Weight140.01 g/mol
Exact Mass139.00
IUPAC Name2-chloro-N-(2-chloroethyl)ethanimine
SMILESClC/C=N/CCCl
InChIInChI=1S/C4H7Cl2N/c5-1-3-7-4-2-6/h3H,1-2,4H2/b7-3+
InChIKeyWOBBGVSNMSVYMT-XVNBXDOJSA-N
XLogP1.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.01
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)ethanimine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)ethanimine (CID 22094706) is 2-chloro-N-(2-chloroethyl)ethanimine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)ethanimine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)ethanimine is ClC/C=N/CCCl.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)ethanimine?
The InChIKey is WOBBGVSNMSVYMT-XVNBXDOJSA-N. The full InChI is InChI=1S/C4H7Cl2N/c5-1-3-7-4-2-6/h3H,1-2,4H2/b7-3+.
What are the key properties of 2-chloro-N-(2-chloroethyl)ethanimine?
2-chloro-N-(2-chloroethyl)ethanimine has a molecular weight of 140.01 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)ethanimine is sourced from PubChem (CID 22094706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).