2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline

C15H17N3 — CID 6176920

IUPAC2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
SMILESC/C(=N/Nc1cccc(C)c1C)c1ccncc1
InChIInChI=1S/C15H17N3/c1-11-5-4-6-15(12(11)2)18-17-13(3)14-7-9-16-10-8-14/h4-10,18H,1-3H3/b17-13-
InChIKeyHKWZBVQNYPJNBT-LGMDPLHJSA-N
MW239.32 g/mol
LogP3.53
Rot. Bonds3

About 2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline

2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline (PubChem CID 6176920) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
PubChem CID6176920
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
SMILESC/C(=N/Nc1cccc(C)c1C)c1ccncc1
InChIInChI=1S/C15H17N3/c1-11-5-4-6-15(12(11)2)18-17-13(3)14-7-9-16-10-8-14/h4-10,18H,1-3H3/b17-13-
InChIKeyHKWZBVQNYPJNBT-LGMDPLHJSA-N
XLogP3.53
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.53
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

2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline
CID 5006880
4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline
CID 72535739
1-(2,3-dimethylphenyl)-3-(1-phenylethylideneamino)thiourea
CID 3919934
7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
CID 4004947
4-methylsulfonyl-N-[(E)-1-pyridin-4-ylethylideneamino]aniline
CID 97311336
1-[1-(4-chlorophenyl)ethylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 3274900
N-[(E)-[(4-bromophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline;hydrochloride
CID 146061297
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
6-methyl-3-[2-(1-pyridin-4-ylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135531949
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline
CID 9014574
pyridine;1,2,3-trimethylbenzene;hydrochloride
CID 174567082
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline?
The IUPAC name of 2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline (CID 6176920) is 2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline?
The canonical SMILES for 2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline is C/C(=N/Nc1cccc(C)c1C)c1ccncc1.
What is the InChIKey of 2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline?
The InChIKey is HKWZBVQNYPJNBT-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-5-4-6-15(12(11)2)18-17-13(3)14-7-9-16-10-8-14/h4-10,18H,1-3H3/b17-13-.
What are the key properties of 2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline?
2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline has a molecular weight of 239.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline is sourced from PubChem (CID 6176920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).