4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline

C20H22N2 — CID 5378335

IUPAC4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C2=Nc3ccccc3C2(C)C)cc1
InChIInChI=1S/C20H22N2/c1-20(2)17-7-5-6-8-18(17)21-19(20)14-11-15-9-12-16(13-10-15)22(3)4/h5-14H,1-4H3/b14-11+
InChIKeySXGAOGLBVSAZEI-SDNWHVSQSA-N
MW290.41 g/mol
LogP4.83
Rot. Bonds3

About 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 5378335) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID5378335
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C2=Nc3ccccc3C2(C)C)cc1
InChIInChI=1S/C20H22N2/c1-20(2)17-7-5-6-8-18(17)21-19(20)14-11-15-9-12-16(13-10-15)22(3)4/h5-14H,1-4H3/b14-11+
InChIKeySXGAOGLBVSAZEI-SDNWHVSQSA-N
XLogP4.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline 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

Crystal Violet
CID 11057
Malachite Green
CID 11294
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Solvent Yellow 34
CID 10298
Gentian violet cation
CID 3468
C.I. Basic Yellow 2
CID 17170
Malachite green cation
CID 11295
Basic Violet 4
CID 16955
N,N,N',N'-Tetramethylbenzidine
CID 9702
2-(2-(4-((2-Chloroethyl)ethylamino)-o-tolyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride
CID 6538422
Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, hydrochloride (1:1)
CID 80679
Basic Red 13
CID 6433371

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline (CID 5378335) is 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/C2=Nc3ccccc3C2(C)C)cc1.
What is the InChIKey of 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is SXGAOGLBVSAZEI-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H22N2/c1-20(2)17-7-5-6-8-18(17)21-19(20)14-11-15-9-12-16(13-10-15)22(3)4/h5-14H,1-4H3/b14-11+.
What are the key properties of 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 290.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 5378335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).