N-(ethyliminomethyl)ethanimidoyl chloride

C5H9ClN2 — CID 164996228

IUPACN-(ethyliminomethyl)ethanimidoyl chloride
SMILESCC/N=C/N=C(\C)Cl
InChIInChI=1S/C5H9ClN2/c1-3-7-4-8-5(2)6/h4H,3H2,1-2H3/b7-4+,8-5+
InChIKeyHPBABGIVSCCRQP-NSLJXJERSA-N
MW132.59 g/mol
LogP1.69
Rot. Bonds2

About N-(ethyliminomethyl)ethanimidoyl chloride

N-(ethyliminomethyl)ethanimidoyl chloride (PubChem CID 164996228) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is N-(ethyliminomethyl)ethanimidoyl chloride.

Molecular Properties

Compound NameN-(ethyliminomethyl)ethanimidoyl chloride
PubChem CID164996228
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC NameN-(ethyliminomethyl)ethanimidoyl chloride
SMILESCC/N=C/N=C(\C)Cl
InChIInChI=1S/C5H9ClN2/c1-3-7-4-8-5(2)6/h4H,3H2,1-2H3/b7-4+,8-5+
InChIKeyHPBABGIVSCCRQP-NSLJXJERSA-N
XLogP1.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-(ethyliminomethyl)ethanimidoyl chloride?
The IUPAC name of N-(ethyliminomethyl)ethanimidoyl chloride (CID 164996228) is N-(ethyliminomethyl)ethanimidoyl chloride.
What is the SMILES notation for N-(ethyliminomethyl)ethanimidoyl chloride?
The canonical SMILES for N-(ethyliminomethyl)ethanimidoyl chloride is CC/N=C/N=C(\C)Cl.
What is the InChIKey of N-(ethyliminomethyl)ethanimidoyl chloride?
The InChIKey is HPBABGIVSCCRQP-NSLJXJERSA-N. The full InChI is InChI=1S/C5H9ClN2/c1-3-7-4-8-5(2)6/h4H,3H2,1-2H3/b7-4+,8-5+.
What are the key properties of N-(ethyliminomethyl)ethanimidoyl chloride?
N-(ethyliminomethyl)ethanimidoyl chloride has a molecular weight of 132.59 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethyliminomethyl)ethanimidoyl chloride is sourced from PubChem (CID 164996228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).