6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine

C20H22N5+ — CID 141093752

IUPAC6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine
SMILESCN(N=C1C=CC=CC1NN=Cc1cc[n+](C)cc1)c1ccccc1
InChIInChI=1S/C20H21N5/c1-24-14-12-17(13-15-24)16-21-22-19-10-6-7-11-20(19)23-25(2)18-8-4-3-5-9-18/h3-16,19H,1-2H3/p+1
InChIKeyZJZZVQMEFHGHPP-UHFFFAOYSA-O
MW332.43 g/mol
LogP2.42
Rot. Bonds5

About 6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine

6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine (PubChem CID 141093752) has the molecular formula C20H22N5+ and a molecular weight of 332.43 g/mol. Its IUPAC name is 6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine
PubChem CID141093752
Molecular FormulaC20H22N5+
Molecular Weight332.43 g/mol
Exact Mass332.19
IUPAC Name6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine
SMILESCN(N=C1C=CC=CC1NN=Cc1cc[n+](C)cc1)c1ccccc1
InChIInChI=1S/C20H21N5/c1-24-14-12-17(13-15-24)16-21-22-19-10-6-7-11-20(19)23-25(2)18-8-4-3-5-9-18/h3-16,19H,1-2H3/p+1
InChIKeyZJZZVQMEFHGHPP-UHFFFAOYSA-O
XLogP2.42
TPSA43.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.42
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine
CID 76699706
N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline
CID 76745592
2-fluoro-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline
CID 22957472
4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-N-phenylaniline
CID 25157945
N-methyl-N-[(E)-[1-[6-[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 23117094
N-methyl-N-[(E)-[1-[2-[2-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 58121438
ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
CID 142017607
1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium iodide
CID 12946925
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene;N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline
CID 172976061
N-methyl-N-[(E)-(1-pentylpyridin-1-ium-4-yl)methylideneamino]aniline
CID 143565582
N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline
CID 71404149
N,N-dimethyl-4-[(1E,3E,5E)-6-(1-methylpyridin-1-ium-4-yl)hexa-1,3,5-trienyl]aniline
CID 20657517

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine (CID 141093752) is 6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine is CN(N=C1C=CC=CC1NN=Cc1cc[n+](C)cc1)c1ccccc1.
What is the InChIKey of 6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine?
The InChIKey is ZJZZVQMEFHGHPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21N5/c1-24-14-12-17(13-15-24)16-21-22-19-10-6-7-11-20(19)23-25(2)18-8-4-3-5-9-18/h3-16,19H,1-2H3/p+1.
What are the key properties of 6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine?
6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine has a molecular weight of 332.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(phenyl)hydrazinylidene]-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 141093752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).