4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride

C13H18Cl2N2 — CID 2945295

IUPAC4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N\C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2.ClH/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12;/h6-9,12H,1-5H2,(H2,15,16);1H
InChIKeyWJSHVTZTXIWURX-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.80
Rot. Bonds2

About 4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride

4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride (PubChem CID 2945295) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride
PubChem CID2945295
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N\C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2.ClH/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12;/h6-9,12H,1-5H2,(H2,15,16);1H
InChIKeyWJSHVTZTXIWURX-UHFFFAOYSA-N
XLogP3.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.80
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 4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride (CID 2945295) is 4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride is Cl.N/C(=N\C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride?
The InChIKey is WJSHVTZTXIWURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2.ClH/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12;/h6-9,12H,1-5H2,(H2,15,16);1H.
What are the key properties of 4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride?
4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride has a molecular weight of 273.21 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 2945295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).