ethanimidamide;hydron;chloride

C2H7ClN2 — CID 517332

IUPACethanimidamide;hydron;chloride
SMILES[Cl-].[H+].[H]/N=C(\C)N
InChIInChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
InChIKeyWCQOBLXWLRDEQA-UHFFFAOYSA-N
MW94.54 g/mol
LogP-2.94
Rot. Bonds

About ethanimidamide;hydron;chloride

ethanimidamide;hydron;chloride (PubChem CID 517332) has the molecular formula C2H7ClN2 and a molecular weight of 94.54 g/mol. Its IUPAC name is ethanimidamide;hydron;chloride.

Molecular Properties

Compound Nameethanimidamide;hydron;chloride
PubChem CID517332
Molecular FormulaC2H7ClN2
Molecular Weight94.54 g/mol
Exact Mass94.03
IUPAC Nameethanimidamide;hydron;chloride
SMILES[Cl-].[H+].[H]/N=C(\C)N
InChIInChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
InChIKeyWCQOBLXWLRDEQA-UHFFFAOYSA-N
XLogP-2.94
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.54
LogP ≤ 5-2.94
H-Bond Donors ≤ 52
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 ethanimidamide;hydron;chloride?
The IUPAC name of ethanimidamide;hydron;chloride (CID 517332) is ethanimidamide;hydron;chloride.
What is the SMILES notation for ethanimidamide;hydron;chloride?
The canonical SMILES for ethanimidamide;hydron;chloride is [Cl-].[H+].[H]/N=C(\C)N.
What is the InChIKey of ethanimidamide;hydron;chloride?
The InChIKey is WCQOBLXWLRDEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H.
What are the key properties of ethanimidamide;hydron;chloride?
ethanimidamide;hydron;chloride has a molecular weight of 94.54 g/mol, XLogP of -2.94, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidamide;hydron;chloride is sourced from PubChem (CID 517332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).