N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline

C15H18N3+ — CID 71404149

IUPACN-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline
SMILESCC(=NN(C)c1ccccc1)c1cc[n+](C)cc1
InChIInChI=1S/C15H18N3/c1-13(14-9-11-17(2)12-10-14)16-18(3)15-7-5-4-6-8-15/h4-12H,1-3H3/q+1
InChIKeySPQSLHDOFXWSOA-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline

N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline (PubChem CID 71404149) has the molecular formula C15H18N3+ and a molecular weight of 240.33 g/mol. Its IUPAC name is N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline
PubChem CID71404149
Molecular FormulaC15H18N3+
Molecular Weight240.33 g/mol
Exact Mass240.15
IUPAC NameN-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline
SMILESCC(=NN(C)c1ccccc1)c1cc[n+](C)cc1
InChIInChI=1S/C15H18N3/c1-13(14-9-11-17(2)12-10-14)16-18(3)15-7-5-4-6-8-15/h4-12H,1-3H3/q+1
InChIKeySPQSLHDOFXWSOA-UHFFFAOYSA-N
XLogP2.37
TPSA19.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[C-methyl-N-(N-methylanilino)carbonimidoyl]phenyl] acetate
CID 139783652
N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
CID 4287495
2-[N-(2-hydroxyethyl)-4-[methyl-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]amino]anilino]ethanol
CID 76699896
4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 89327073
1-methyl-N-[(E)-1-phenylethylideneamino]pyridin-1-ium-4-carboxamide
CID 51056262
4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
N-benzyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]aniline
CID 6050760
N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline
CID 15914194
2-[methyl(phenyl)hydrazinylidene]propanedioic acid
CID 165345794
4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987656
2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987714
N-[(benzhydrylideneamino)-methylamino]-N-(1-phenylethylideneamino)methanamine
CID 91258409

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline?
The IUPAC name of N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline (CID 71404149) is N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline.
What is the SMILES notation for N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline?
The canonical SMILES for N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline is CC(=NN(C)c1ccccc1)c1cc[n+](C)cc1.
What is the InChIKey of N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline?
The InChIKey is SPQSLHDOFXWSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N3/c1-13(14-9-11-17(2)12-10-14)16-18(3)15-7-5-4-6-8-15/h4-12H,1-3H3/q+1.
What are the key properties of N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline?
N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline has a molecular weight of 240.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline is sourced from PubChem (CID 71404149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).