4-ethenyl-N,N'-diethylbenzenecarboximidamide

C13H18N2 — CID 22015298

IUPAC4-ethenyl-N,N'-diethylbenzenecarboximidamide
SMILESC=Cc1ccc(/C(=N/CC)NCC)cc1
InChIInChI=1S/C13H18N2/c1-4-11-7-9-12(10-8-11)13(14-5-2)15-6-3/h4,7-10H,1,5-6H2,2-3H3,(H,14,15)
InChIKeyLCAVHGYHTKNMTI-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.71
Rot. Bonds4

About 4-ethenyl-N,N'-diethylbenzenecarboximidamide

4-ethenyl-N,N'-diethylbenzenecarboximidamide (PubChem CID 22015298) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-ethenyl-N,N'-diethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-ethenyl-N,N'-diethylbenzenecarboximidamide
PubChem CID22015298
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-ethenyl-N,N'-diethylbenzenecarboximidamide
SMILESC=Cc1ccc(/C(=N/CC)NCC)cc1
InChIInChI=1S/C13H18N2/c1-4-11-7-9-12(10-8-11)13(14-5-2)15-6-3/h4,7-10H,1,5-6H2,2-3H3,(H,14,15)
InChIKeyLCAVHGYHTKNMTI-UHFFFAOYSA-N
XLogP2.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.71
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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2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol
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CID 70319
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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N'-diethylbenzenecarboximidamide?
The IUPAC name of 4-ethenyl-N,N'-diethylbenzenecarboximidamide (CID 22015298) is 4-ethenyl-N,N'-diethylbenzenecarboximidamide.
What is the SMILES notation for 4-ethenyl-N,N'-diethylbenzenecarboximidamide?
The canonical SMILES for 4-ethenyl-N,N'-diethylbenzenecarboximidamide is C=Cc1ccc(/C(=N/CC)NCC)cc1.
What is the InChIKey of 4-ethenyl-N,N'-diethylbenzenecarboximidamide?
The InChIKey is LCAVHGYHTKNMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-11-7-9-12(10-8-11)13(14-5-2)15-6-3/h4,7-10H,1,5-6H2,2-3H3,(H,14,15).
What are the key properties of 4-ethenyl-N,N'-diethylbenzenecarboximidamide?
4-ethenyl-N,N'-diethylbenzenecarboximidamide has a molecular weight of 202.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N'-diethylbenzenecarboximidamide is sourced from PubChem (CID 22015298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).