2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile

C16H16N4 — CID 169383843

IUPAC2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile
SMILESCN(C)c1ccc(C=NNc2ccccc2)cc1C#N
InChIInChI=1S/C16H16N4/c1-20(2)16-9-8-13(10-14(16)11-17)12-18-19-15-6-4-3-5-7-15/h3-10,12,19H,1-2H3
InChIKeyUGVKFFHDVMQXIW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.07
Rot. Bonds4

About 2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile

2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile (PubChem CID 169383843) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile
PubChem CID169383843
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile
SMILESCN(C)c1ccc(C=NNc2ccccc2)cc1C#N
InChIInChI=1S/C16H16N4/c1-20(2)16-9-8-13(10-14(16)11-17)12-18-19-15-6-4-3-5-7-15/h3-10,12,19H,1-2H3
InChIKeyUGVKFFHDVMQXIW-UHFFFAOYSA-N
XLogP3.07
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169384043
2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168619300
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline
CID 9059583
2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile
CID 2741841
tert-butyl 4-[2-cyano-4-[(phenylhydrazinylidene)methyl]phenyl]piperazine-1-carboxylate
CID 169384001
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile
CID 51138518
N-[(3-methylsulfanylphenyl)methylideneamino]aniline
CID 169381797
2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile?
The IUPAC name of 2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile (CID 169383843) is 2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile.
What is the SMILES notation for 2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile?
The canonical SMILES for 2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile is CN(C)c1ccc(C=NNc2ccccc2)cc1C#N.
What is the InChIKey of 2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile?
The InChIKey is UGVKFFHDVMQXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20(2)16-9-8-13(10-14(16)11-17)12-18-19-15-6-4-3-5-7-15/h3-10,12,19H,1-2H3.
What are the key properties of 2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile?
2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile is sourced from PubChem (CID 169383843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).