4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline

C15H14IN3 — CID 154979853

IUPAC4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
SMILESCNc1ccc(/C=N/N=C/c2ccc(I)cc2)cc1
InChIInChI=1S/C15H14IN3/c1-17-15-8-4-13(5-9-15)11-19-18-10-12-2-6-14(16)7-3-12/h2-11,17H,1H3/b18-10+,19-11+
InChIKeyKYBHKRBUNRJMIF-XOBNHNQQSA-N
MW363.20 g/mol
LogP3.79
Rot. Bonds4

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

4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline (PubChem CID 154979853) has the molecular formula C15H14IN3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
PubChem CID154979853
Molecular FormulaC15H14IN3
Molecular Weight363.20 g/mol
Exact Mass363.02
IUPAC Name4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
SMILESCNc1ccc(/C=N/N=C/c2ccc(I)cc2)cc1
InChIInChI=1S/C15H14IN3/c1-17-15-8-4-13(5-9-15)11-19-18-10-12-2-6-14(16)7-3-12/h2-11,17H,1H3/b18-10+,19-11+
InChIKeyKYBHKRBUNRJMIF-XOBNHNQQSA-N
XLogP3.79
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
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)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 172917579
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
CID 154979865
4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979794
4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979858
ethane;4-(methylamino)benzaldehyde
CID 90757327
trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium
CID 171384179
N-methyl-4-(2-methylprop-1-enyl)aniline
CID 54423846
4-N-iodo-1-N-methylbenzene-1,4-diamine
CID 138623008
4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline
CID 67167248
N-phenyl-4-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]aniline
CID 154979781
N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide
CID 54610044
4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline
CID 73350446

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
The IUPAC name of 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline (CID 154979853) is 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline is CNc1ccc(/C=N/N=C/c2ccc(I)cc2)cc1.
What is the InChIKey of 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
The InChIKey is KYBHKRBUNRJMIF-XOBNHNQQSA-N. The full InChI is InChI=1S/C15H14IN3/c1-17-15-8-4-13(5-9-15)11-19-18-10-12-2-6-14(16)7-3-12/h2-11,17H,1H3/b18-10+,19-11+.
What are the key properties of 4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline has a molecular weight of 363.20 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 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-methylaniline is sourced from PubChem (CID 154979853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).