N,N'-diethylbenzenecarboximidamide;hydrochloride

C11H17ClN2 — CID 45260153

IUPACN,N'-diethylbenzenecarboximidamide;hydrochloride
SMILESCC/N=C(\NCC)c1ccccc1.Cl
InChIInChI=1S/C11H16N2.ClH/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3,(H,12,13);1H
InChIKeySWMMHJCBBSYXBE-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.48
Rot. Bonds3

About N,N'-diethylbenzenecarboximidamide;hydrochloride

N,N'-diethylbenzenecarboximidamide;hydrochloride (PubChem CID 45260153) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N,N'-diethylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN,N'-diethylbenzenecarboximidamide;hydrochloride
PubChem CID45260153
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN,N'-diethylbenzenecarboximidamide;hydrochloride
SMILESCC/N=C(\NCC)c1ccccc1.Cl
InChIInChI=1S/C11H16N2.ClH/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3,(H,12,13);1H
InChIKeySWMMHJCBBSYXBE-UHFFFAOYSA-N
XLogP2.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.48
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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Related Compounds

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Bethanidine
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2-Phenylimidazoline
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2-(3-methylphenyl)-4,5-dihydro-1H-imidazole
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2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
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2-(4-tert-Butylphenyl)-4,5-dihydro-1H-imidazole
CID 44269078
2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 279088
2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol
CID 2776794
2-Phenyl-1,4,5,6-tetrahydropyrimidine
CID 408156
1H-Imidazole, 4,5-dihydro-5-methyl-2-phenyl-
CID 70319
1-Phenyl-1-(piperidin-1-yl)methanimine--hydrogen chloride (1/1)
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Frequently Asked Questions

What is the IUPAC name of N,N'-diethylbenzenecarboximidamide;hydrochloride?
The IUPAC name of N,N'-diethylbenzenecarboximidamide;hydrochloride (CID 45260153) is N,N'-diethylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N,N'-diethylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for N,N'-diethylbenzenecarboximidamide;hydrochloride is CC/N=C(\NCC)c1ccccc1.Cl.
What is the InChIKey of N,N'-diethylbenzenecarboximidamide;hydrochloride?
The InChIKey is SWMMHJCBBSYXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.ClH/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3,(H,12,13);1H.
What are the key properties of N,N'-diethylbenzenecarboximidamide;hydrochloride?
N,N'-diethylbenzenecarboximidamide;hydrochloride has a molecular weight of 212.72 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 45260153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).