2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline

C14H21N — CID 58339600

IUPAC2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline
SMILESCC(C)=CCNc1c(C)cc(C)cc1C
InChIInChI=1S/C14H21N/c1-10(2)6-7-15-14-12(4)8-11(3)9-13(14)5/h6,8-9,15H,7H2,1-5H3
InChIKeyROBFYUPPCZULQJ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.99
Rot. Bonds3

About 2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline

2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline (PubChem CID 58339600) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline
PubChem CID58339600
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline
SMILESCC(C)=CCNc1c(C)cc(C)cc1C
InChIInChI=1S/C14H21N/c1-10(2)6-7-15-14-12(4)8-11(3)9-13(14)5/h6,8-9,15H,7H2,1-5H3
InChIKeyROBFYUPPCZULQJ-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4,6-trimethyl-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

2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
CID 103604357
N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527856
4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline
CID 103604424
3-(3-methylbut-2-enylamino)phenol
CID 130657504
N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 106180105
methyl-(3-methylbut-2-enyl)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622091
N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 20780242
2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline
CID 107899900
3-(2,4,6-trimethylanilino)propanethioamide
CID 82080350
N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline
CID 63448276
N-ethyl-2,4,6-trimethylaniline;trichlorocobalt
CID 175492327
2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene
CID 173446962

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline?
The IUPAC name of 2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline (CID 58339600) is 2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline?
The canonical SMILES for 2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline is CC(C)=CCNc1c(C)cc(C)cc1C.
What is the InChIKey of 2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline?
The InChIKey is ROBFYUPPCZULQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)6-7-15-14-12(4)8-11(3)9-13(14)5/h6,8-9,15H,7H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline?
2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline has a molecular weight of 203.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline is sourced from PubChem (CID 58339600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).