N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride

C13H14ClN3 — CID 136666115

IUPACN-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride
SMILESCC(=NNc1ccccc1)c1ccc[nH+]c1.[Cl-]
InChIInChI=1S/C13H13N3.ClH/c1-11(12-6-5-9-14-10-12)15-16-13-7-3-2-4-8-13;/h2-10,16H,1H3;1H
InChIKeyFFIVQDDURRFGJD-UHFFFAOYSA-N
MW247.73 g/mol
LogP-0.66
Rot. Bonds3

About N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride

N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride (PubChem CID 136666115) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride.

Molecular Properties

Compound NameN-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride
PubChem CID136666115
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride
SMILESCC(=NNc1ccccc1)c1ccc[nH+]c1.[Cl-]
InChIInChI=1S/C13H13N3.ClH/c1-11(12-6-5-9-14-10-12)15-16-13-7-3-2-4-8-13;/h2-10,16H,1H3;1H
InChIKeyFFIVQDDURRFGJD-UHFFFAOYSA-N
XLogP-0.66
TPSA38.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
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'}

Analyze N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
CID 3561745
2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
CID 2768362
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
N-[(E)-1-phenylethylideneamino]-1,4,5,6-tetrahydropyrimidin-3-ium-2-amine
CID 135855705
3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine
CID 86746349
N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine
CID 177396437
N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline
CID 121005385

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride?
The IUPAC name of N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride (CID 136666115) is N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride.
What is the SMILES notation for N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride?
The canonical SMILES for N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride is CC(=NNc1ccccc1)c1ccc[nH+]c1.[Cl-].
What is the InChIKey of N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride?
The InChIKey is FFIVQDDURRFGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3.ClH/c1-11(12-6-5-9-14-10-12)15-16-13-7-3-2-4-8-13;/h2-10,16H,1H3;1H.
What are the key properties of N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride?
N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride has a molecular weight of 247.73 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride is sourced from PubChem (CID 136666115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).