4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline

C16H19N3 — CID 56698447

IUPAC4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline
SMILESCN(C)/N=C/c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C16H19N3/c1-18(2)17-13-14-9-11-16(12-10-14)19(3)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+
InChIKeyXMJWKEPZQPZTTA-GHRIWEEISA-N
MW253.35 g/mol
LogP3.35
Rot. Bonds4

About 4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline

4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline (PubChem CID 56698447) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline
PubChem CID56698447
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline
SMILESCN(C)/N=C/c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C16H19N3/c1-18(2)17-13-14-9-11-16(12-10-14)19(3)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+
InChIKeyXMJWKEPZQPZTTA-GHRIWEEISA-N
XLogP3.35
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.35
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

2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
CID 168590998
4-[(dimethylhydrazinylidene)methyl]aniline
CID 123147068
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 155621570
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
ethene;N-methyl-N-phenylaniline
CID 144541479
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline
CID 90481154
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine
CID 89017166
N-[(Z)-[4-[[dimethyl(phenyl)silyl]-dimethylsilyl]phenyl]methylideneamino]-N-methylaniline
CID 71119687

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline?
The IUPAC name of 4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline (CID 56698447) is 4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline?
The canonical SMILES for 4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline is CN(C)/N=C/c1ccc(N(C)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline?
The InChIKey is XMJWKEPZQPZTTA-GHRIWEEISA-N. The full InChI is InChI=1S/C16H19N3/c1-18(2)17-13-14-9-11-16(12-10-14)19(3)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+.
What are the key properties of 4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline?
4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline has a molecular weight of 253.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline is sourced from PubChem (CID 56698447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).