4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline

C13H18N2 — CID 138502158

IUPAC4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline
SMILESC/C(N)=C\C=C(/C)Cc1ccc(N)cc1
InChIInChI=1S/C13H18N2/c1-10(3-4-11(2)14)9-12-5-7-13(15)8-6-12/h3-8H,9,14-15H2,1-2H3/b10-3+,11-4+
InChIKeyMSGYATUNYYNUCL-HULALXFYSA-N
MW202.30 g/mol
LogP2.62
Rot. Bonds3

About 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline

4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline (PubChem CID 138502158) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline.

Molecular Properties

Compound Name4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline
PubChem CID138502158
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline
SMILESC/C(N)=C\C=C(/C)Cc1ccc(N)cc1
InChIInChI=1S/C13H18N2/c1-10(3-4-11(2)14)9-12-5-7-13(15)8-6-12/h3-8H,9,14-15H2,1-2H3/b10-3+,11-4+
InChIKeyMSGYATUNYYNUCL-HULALXFYSA-N
XLogP2.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline 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

2-(4-aminophenyl)ethanethioamide
CID 64981449
4-N-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 129089444
4-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]sulfonylaniline
CID 139571336
4-[[(2Z)-penta-2,4-dien-2-yl]sulfanylmethyl]aniline
CID 89386903
2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114614956
2-(4-aminophenyl)acetyl chloride;ethane
CID 143474750
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
2-(4-aminophenyl)acetic acid;propanoic acid
CID 175478961
1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene
CID 142910049
2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
CID 115739603
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline?
The IUPAC name of 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline (CID 138502158) is 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline.
What is the SMILES notation for 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline?
The canonical SMILES for 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline is C/C(N)=C\C=C(/C)Cc1ccc(N)cc1.
What is the InChIKey of 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline?
The InChIKey is MSGYATUNYYNUCL-HULALXFYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(3-4-11(2)14)9-12-5-7-13(15)8-6-12/h3-8H,9,14-15H2,1-2H3/b10-3+,11-4+.
What are the key properties of 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline?
4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline has a molecular weight of 202.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-amino-2-methylhexa-2,4-dienyl]aniline is sourced from PubChem (CID 138502158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).