4-ethylbenzenecarboximidamide;hydrochloride

C9H13ClN2 — CID 15564107

IUPAC4-ethylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(CC)cc1
InChIInChI=1S/C9H12N2.ClH/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,2H2,1H3,(H3,10,11);1H
InChIKeyKVZPICRJHAAEDI-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.95
Rot. Bonds2

About 4-ethylbenzenecarboximidamide;hydrochloride

4-ethylbenzenecarboximidamide;hydrochloride (PubChem CID 15564107) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-ethylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-ethylbenzenecarboximidamide;hydrochloride
PubChem CID15564107
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name4-ethylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(CC)cc1
InChIInChI=1S/C9H12N2.ClH/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,2H2,1H3,(H3,10,11);1H
InChIKeyKVZPICRJHAAEDI-UHFFFAOYSA-N
XLogP1.95
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.95
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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Related Compounds

4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
4-prop-2-enylbenzenecarboximidamide
CID 67813760
4-[3-(4-carbamimidoylphenyl)-2-oxopropyl]benzenecarboximidamide
CID 153102323
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 63981703
methyl 3-(4-carbamimidoylphenyl)propanoate;hydrochloride
CID 19376397

Frequently Asked Questions

What is the IUPAC name of 4-ethylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-ethylbenzenecarboximidamide;hydrochloride (CID 15564107) is 4-ethylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-ethylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-ethylbenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(CC)cc1.
What is the InChIKey of 4-ethylbenzenecarboximidamide;hydrochloride?
The InChIKey is KVZPICRJHAAEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.ClH/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,2H2,1H3,(H3,10,11);1H.
What are the key properties of 4-ethylbenzenecarboximidamide;hydrochloride?
4-ethylbenzenecarboximidamide;hydrochloride has a molecular weight of 184.67 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 15564107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).