2-[(E)-but-2-enimidoyl]-5-methylaniline

C11H14N2 — CID 143224208

IUPAC2-[(E)-but-2-enimidoyl]-5-methylaniline
SMILES[H]/N=C(\C=C\C)c1ccc(C)cc1N
InChIInChI=1S/C11H14N2/c1-3-4-10(12)9-6-5-8(2)7-11(9)13/h3-7,12H,13H2,1-2H3/b4-3+,12-10+
InChIKeyLCLJYZCCDLSVFN-QMAXVLQRSA-N
MW174.25 g/mol
LogP2.52
Rot. Bonds2

About 2-[(E)-but-2-enimidoyl]-5-methylaniline

2-[(E)-but-2-enimidoyl]-5-methylaniline (PubChem CID 143224208) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-[(E)-but-2-enimidoyl]-5-methylaniline.

Molecular Properties

Compound Name2-[(E)-but-2-enimidoyl]-5-methylaniline
PubChem CID143224208
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-[(E)-but-2-enimidoyl]-5-methylaniline
SMILES[H]/N=C(\C=C\C)c1ccc(C)cc1N
InChIInChI=1S/C11H14N2/c1-3-4-10(12)9-6-5-8(2)7-11(9)13/h3-7,12H,13H2,1-2H3/b4-3+,12-10+
InChIKeyLCLJYZCCDLSVFN-QMAXVLQRSA-N
XLogP2.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(E)-but-2-enimidoyl]-5-methylaniline 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;5-methyl-2-prop-1-en-2-ylaniline
CID 142496238
2-amino-5-methylbenzenecarboximidoyl chloride;ethane
CID 176988809
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
(E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid
CID 143782029
2-amino-N-ethenyl-4-methylbenzamide
CID 143815920
4-methyl-2-sulfanylbenzenecarboximidamide
CID 142196477
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene-1,3-diamine
CID 142094947
N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline
CID 156809772
4-methyl-2-propanimidoylaniline;molecular hydrogen
CID 176988510
2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane
CID 143489753
5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline
CID 166735767
(E)-2-amino-3-(2-amino-4-methylphenyl)-3-hydroxyprop-2-enoic acid
CID 142087140

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enimidoyl]-5-methylaniline?
The IUPAC name of 2-[(E)-but-2-enimidoyl]-5-methylaniline (CID 143224208) is 2-[(E)-but-2-enimidoyl]-5-methylaniline.
What is the SMILES notation for 2-[(E)-but-2-enimidoyl]-5-methylaniline?
The canonical SMILES for 2-[(E)-but-2-enimidoyl]-5-methylaniline is [H]/N=C(\C=C\C)c1ccc(C)cc1N.
What is the InChIKey of 2-[(E)-but-2-enimidoyl]-5-methylaniline?
The InChIKey is LCLJYZCCDLSVFN-QMAXVLQRSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-4-10(12)9-6-5-8(2)7-11(9)13/h3-7,12H,13H2,1-2H3/b4-3+,12-10+.
What are the key properties of 2-[(E)-but-2-enimidoyl]-5-methylaniline?
2-[(E)-but-2-enimidoyl]-5-methylaniline has a molecular weight of 174.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enimidoyl]-5-methylaniline is sourced from PubChem (CID 143224208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).