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

C17H19N3 — CID 172917579

IUPAC4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
SMILESCCc1ccc(/C=N/N=C/c2ccc(NC)cc2)cc1
InChIInChI=1S/C17H19N3/c1-3-14-4-6-15(7-5-14)12-19-20-13-16-8-10-17(18-2)11-9-16/h4-13,18H,3H2,1-2H3/b19-12+,20-13+
InChIKeyLXFFBMPSXNQBAT-KVOOEGMKSA-N
MW265.36 g/mol
LogP3.74
Rot. Bonds5

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

4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline (PubChem CID 172917579) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
PubChem CID172917579
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
SMILESCCc1ccc(/C=N/N=C/c2ccc(NC)cc2)cc1
InChIInChI=1S/C17H19N3/c1-3-14-4-6-15(7-5-14)12-19-20-13-16-8-10-17(18-2)11-9-16/h4-13,18H,3H2,1-2H3/b19-12+,20-13+
InChIKeyLXFFBMPSXNQBAT-KVOOEGMKSA-N
XLogP3.74
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
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

ethane;4-ethyl-N-methylaniline;methane
CID 142034195
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979853
4-(4-ethylphenyl)-N-methylaniline
CID 83639646
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
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N-[(E)-(4-ethylphenyl)methylideneamino]formamide
CID 6903320
4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979858
4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979794
(E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine
CID 19368686
1-[(E)-(4-ethylphenyl)methylideneamino]-3-methylthiourea
CID 7575221
2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880634
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505055
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
The IUPAC name of 4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline (CID 172917579) is 4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline is CCc1ccc(/C=N/N=C/c2ccc(NC)cc2)cc1.
What is the InChIKey of 4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
The InChIKey is LXFFBMPSXNQBAT-KVOOEGMKSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-14-4-6-15(7-5-14)12-19-20-13-16-8-10-17(18-2)11-9-16/h4-13,18H,3H2,1-2H3/b19-12+,20-13+.
What are the key properties of 4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline has a molecular weight of 265.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline is sourced from PubChem (CID 172917579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).