2-chloro-N'-ethylethanimidamide;hydrochloride

C4H10Cl2N2 — CID 14317600

IUPAC2-chloro-N'-ethylethanimidamide;hydrochloride
SMILESCC/N=C(/N)CCl.Cl
InChIInChI=1S/C4H9ClN2.ClH/c1-2-7-4(6)3-5;/h2-3H2,1H3,(H2,6,7);1H
InChIKeyFFZWMLXEVIZLSF-UHFFFAOYSA-N
MW157.04 g/mol
LogP1.02
Rot. Bonds2

About 2-chloro-N'-ethylethanimidamide;hydrochloride

2-chloro-N'-ethylethanimidamide;hydrochloride (PubChem CID 14317600) has the molecular formula C4H10Cl2N2 and a molecular weight of 157.04 g/mol. Its IUPAC name is 2-chloro-N'-ethylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N'-ethylethanimidamide;hydrochloride
PubChem CID14317600
Molecular FormulaC4H10Cl2N2
Molecular Weight157.04 g/mol
Exact Mass156.02
IUPAC Name2-chloro-N'-ethylethanimidamide;hydrochloride
SMILESCC/N=C(/N)CCl.Cl
InChIInChI=1S/C4H9ClN2.ClH/c1-2-7-4(6)3-5;/h2-3H2,1H3,(H2,6,7);1H
InChIKeyFFZWMLXEVIZLSF-UHFFFAOYSA-N
XLogP1.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.04
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-ethylethanimidamide;hydrochloride?
The IUPAC name of 2-chloro-N'-ethylethanimidamide;hydrochloride (CID 14317600) is 2-chloro-N'-ethylethanimidamide;hydrochloride.
What is the SMILES notation for 2-chloro-N'-ethylethanimidamide;hydrochloride?
The canonical SMILES for 2-chloro-N'-ethylethanimidamide;hydrochloride is CC/N=C(/N)CCl.Cl.
What is the InChIKey of 2-chloro-N'-ethylethanimidamide;hydrochloride?
The InChIKey is FFZWMLXEVIZLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClN2.ClH/c1-2-7-4(6)3-5;/h2-3H2,1H3,(H2,6,7);1H.
What are the key properties of 2-chloro-N'-ethylethanimidamide;hydrochloride?
2-chloro-N'-ethylethanimidamide;hydrochloride has a molecular weight of 157.04 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-ethylethanimidamide;hydrochloride is sourced from PubChem (CID 14317600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).