4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline

C16H16IN3 — CID 154979865

IUPAC4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/N=C/c2ccc(I)cc2)cc1
InChIInChI=1S/C16H16IN3/c1-20(2)16-9-5-14(6-10-16)12-19-18-11-13-3-7-15(17)8-4-13/h3-12H,1-2H3/b18-11+,19-12+
InChIKeyKPXBGFRJSVKUNJ-GDAWTGGTSA-N
MW377.23 g/mol
LogP3.81
Rot. Bonds4

About 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline

4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline (PubChem CID 154979865) has the molecular formula C16H16IN3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
PubChem CID154979865
Molecular FormulaC16H16IN3
Molecular Weight377.23 g/mol
Exact Mass377.04
IUPAC Name4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/N=C/c2ccc(I)cc2)cc1
InChIInChI=1S/C16H16IN3/c1-20(2)16-9-5-14(6-10-16)12-19-18-11-13-3-7-15(17)8-4-13/h3-12H,1-2H3/b18-11+,19-12+
InChIKeyKPXBGFRJSVKUNJ-GDAWTGGTSA-N
XLogP3.81
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979853
2-[(Z)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135478785
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
N,N-dimethyl-4-[(E)-[(E)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]methyl]aniline
CID 154979796
CID 102273448
CID 102273448
4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-2-methoxyphenol
CID 154979830
N,N-dimethyl-4-[(2,3,5,6-tetrafluoro-4-iodophenyl)iminomethyl]aniline
CID 139203663
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline
CID 1381576
(NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride
CID 12773541
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine
CID 174022405

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline (CID 154979865) is 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/N=C/c2ccc(I)cc2)cc1.
What is the InChIKey of 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The InChIKey is KPXBGFRJSVKUNJ-GDAWTGGTSA-N. The full InChI is InChI=1S/C16H16IN3/c1-20(2)16-9-5-14(6-10-16)12-19-18-11-13-3-7-15(17)8-4-13/h3-12H,1-2H3/b18-11+,19-12+.
What are the key properties of 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline has a molecular weight of 377.23 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 154979865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).