N'-benzylethanimidamide;hydrochloride

C9H13ClN2 — CID 69168126

IUPACN'-benzylethanimidamide;hydrochloride
SMILESC/C(N)=N\Cc1ccccc1.Cl
InChIInChI=1S/C9H12N2.ClH/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,10,11);1H
InChIKeyWZATYSOSTXBEJR-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.99
Rot. Bonds2

About N'-benzylethanimidamide;hydrochloride

N'-benzylethanimidamide;hydrochloride (PubChem CID 69168126) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is N'-benzylethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-benzylethanimidamide;hydrochloride
PubChem CID69168126
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC NameN'-benzylethanimidamide;hydrochloride
SMILESC/C(N)=N\Cc1ccccc1.Cl
InChIInChI=1S/C9H12N2.ClH/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,10,11);1H
InChIKeyWZATYSOSTXBEJR-UHFFFAOYSA-N
XLogP1.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.99
H-Bond Donors ≤ 51
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'-benzylethanimidamide;hydrochloride?
The IUPAC name of N'-benzylethanimidamide;hydrochloride (CID 69168126) is N'-benzylethanimidamide;hydrochloride.
What is the SMILES notation for N'-benzylethanimidamide;hydrochloride?
The canonical SMILES for N'-benzylethanimidamide;hydrochloride is C/C(N)=N\Cc1ccccc1.Cl.
What is the InChIKey of N'-benzylethanimidamide;hydrochloride?
The InChIKey is WZATYSOSTXBEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.ClH/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,10,11);1H.
What are the key properties of N'-benzylethanimidamide;hydrochloride?
N'-benzylethanimidamide;hydrochloride has a molecular weight of 184.67 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylethanimidamide;hydrochloride is sourced from PubChem (CID 69168126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).