2,4-dimethyl-N-(3-methylbut-2-enyl)aniline

C13H19N — CID 103604357

IUPAC2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
SMILESCC(C)=CCNc1ccc(C)cc1C
InChIInChI=1S/C13H19N/c1-10(2)7-8-14-13-6-5-11(3)9-12(13)4/h5-7,9,14H,8H2,1-4H3
InChIKeyBFOGNPYMROMVRV-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.68
Rot. Bonds3

About 2,4-dimethyl-N-(3-methylbut-2-enyl)aniline

2,4-dimethyl-N-(3-methylbut-2-enyl)aniline (PubChem CID 103604357) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-methylbut-2-enyl)aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
PubChem CID103604357
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
SMILESCC(C)=CCNc1ccc(C)cc1C
InChIInChI=1S/C13H19N/c1-10(2)7-8-14-13-6-5-11(3)9-12(13)4/h5-7,9,14H,8H2,1-4H3
InChIKeyBFOGNPYMROMVRV-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-N-(3-methylbut-2-enyl)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

4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline
CID 103604424
2-chloro-4-methyl-N-(3-methylbut-2-enyl)aniline
CID 103604374
2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline
CID 58339600
1-(2,4-dimethylanilino)-2-methylbutan-2-ol
CID 114492467
2-iodo-1-N-(3-methylbut-2-enyl)benzene-1,4-diamine
CID 106182064
2-(2,4-dimethylanilino)ethanethioamide
CID 82075991
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
methyl (E)-4-(4-bromo-2-methylanilino)-2-methylbut-2-enoate
CID 103232319
5-bromo-2-(3-methylbut-2-enylamino)benzonitrile
CID 103525231

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-methylbut-2-enyl)aniline?
The IUPAC name of 2,4-dimethyl-N-(3-methylbut-2-enyl)aniline (CID 103604357) is 2,4-dimethyl-N-(3-methylbut-2-enyl)aniline.
What is the SMILES notation for 2,4-dimethyl-N-(3-methylbut-2-enyl)aniline?
The canonical SMILES for 2,4-dimethyl-N-(3-methylbut-2-enyl)aniline is CC(C)=CCNc1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-N-(3-methylbut-2-enyl)aniline?
The InChIKey is BFOGNPYMROMVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)7-8-14-13-6-5-11(3)9-12(13)4/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-(3-methylbut-2-enyl)aniline?
2,4-dimethyl-N-(3-methylbut-2-enyl)aniline has a molecular weight of 189.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-methylbut-2-enyl)aniline is sourced from PubChem (CID 103604357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).