4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile

C17H17N3 — CID 71903233

IUPAC4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile
SMILESCCN(N=Cc1ccc(C#N)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H17N3/c1-3-20(17-10-4-14(2)5-11-17)19-13-16-8-6-15(12-18)7-9-16/h4-11,13H,3H2,1-2H3
InChIKeyWERSGWKLPJRZSG-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.73
Rot. Bonds4

About 4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile

4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile (PubChem CID 71903233) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile
PubChem CID71903233
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile
SMILESCCN(N=Cc1ccc(C#N)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H17N3/c1-3-20(17-10-4-14(2)5-11-17)19-13-16-8-6-15(12-18)7-9-16/h4-11,13H,3H2,1-2H3
InChIKeyWERSGWKLPJRZSG-UHFFFAOYSA-N
XLogP3.73
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6268194
4-(ethyliminomethyl)benzonitrile
CID 12927009
4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile
CID 54241340
4-(4-cyano-N-ethylanilino)benzonitrile
CID 102137566
4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile
CID 168530991
4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline
CID 85434701
4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine
CID 142886824
4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]benzaldehyde;4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]benzonitrile
CID 158727090
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
4-[(4-ethylphenyl)iminomethyl]benzonitrile
CID 23167748
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976
4-[ethyl(prop-2-enyl)amino]benzonitrile
CID 78958833

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile?
The IUPAC name of 4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile (CID 71903233) is 4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile.
What is the SMILES notation for 4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile?
The canonical SMILES for 4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile is CCN(N=Cc1ccc(C#N)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile?
The InChIKey is WERSGWKLPJRZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-20(17-10-4-14(2)5-11-17)19-13-16-8-6-15(12-18)7-9-16/h4-11,13H,3H2,1-2H3.
What are the key properties of 4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile?
4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile is sourced from PubChem (CID 71903233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).