N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide

C15H18Cl2N2 — CID 23469654

IUPACN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide
SMILESN/C(=N\C=C\c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H18Cl2N2/c16-13-7-6-11(10-14(13)17)8-9-19-15(18)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,18,19)/b9-8+
InChIKeyYAINCHKNPMDBLI-CMDGGOBGSA-N
MW297.23 g/mol
LogP4.90
Rot. Bonds3

About N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide

N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide (PubChem CID 23469654) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide
PubChem CID23469654
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide
SMILESN/C(=N\C=C\c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H18Cl2N2/c16-13-7-6-11(10-14(13)17)8-9-19-15(18)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,18,19)/b9-8+
InChIKeyYAINCHKNPMDBLI-CMDGGOBGSA-N
XLogP4.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.90
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'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide?
The IUPAC name of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide (CID 23469654) is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide.
What is the SMILES notation for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide?
The canonical SMILES for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide is N/C(=N\C=C\c1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide?
The InChIKey is YAINCHKNPMDBLI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c16-13-7-6-11(10-14(13)17)8-9-19-15(18)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,18,19)/b9-8+.
What are the key properties of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide?
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide has a molecular weight of 297.23 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide is sourced from PubChem (CID 23469654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).