4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide

C15H16N4 — CID 23469521

IUPAC4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide
SMILESN/C(=N\C=C\c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H16N4/c16-13-5-1-11(2-6-13)9-10-19-15(18)12-3-7-14(17)8-4-12/h1-10H,16-17H2,(H2,18,19)/b10-9+
InChIKeyYTKQCRUSZRZVDI-MDZDMXLPSA-N
MW252.32 g/mol
LogP2.23
Rot. Bonds3

About 4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide

4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide (PubChem CID 23469521) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide
PubChem CID23469521
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide
SMILESN/C(=N\C=C\c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H16N4/c16-13-5-1-11(2-6-13)9-10-19-15(18)12-3-7-14(17)8-4-12/h1-10H,16-17H2,(H2,18,19)/b10-9+
InChIKeyYTKQCRUSZRZVDI-MDZDMXLPSA-N
XLogP2.23
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide?
The IUPAC name of 4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide (CID 23469521) is 4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide.
What is the SMILES notation for 4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide?
The canonical SMILES for 4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide is N/C(=N\C=C\c1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide?
The InChIKey is YTKQCRUSZRZVDI-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H16N4/c16-13-5-1-11(2-6-13)9-10-19-15(18)12-3-7-14(17)8-4-12/h1-10H,16-17H2,(H2,18,19)/b10-9+.
What are the key properties of 4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide?
4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide has a molecular weight of 252.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide is sourced from PubChem (CID 23469521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).