4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline

C25H37N — CID 89308319

IUPAC4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C/C2=C/C(=C/C(C)(C)C)CC(C)(C)C2)cc1
InChIInChI=1S/C25H37N/c1-8-26(9-2)23-14-12-20(13-15-23)10-11-21-16-22(17-24(3,4)5)19-25(6,7)18-21/h10-17H,8-9,18-19H2,1-7H3/b11-10+,22-17-
InChIKeyOUUWEJYXCLGQLW-LTESUWHSSA-N
MW351.58 g/mol
LogP7.26
Rot. Bonds5

About 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline

4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline (PubChem CID 89308319) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline
PubChem CID89308319
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C/C2=C/C(=C/C(C)(C)C)CC(C)(C)C2)cc1
InChIInChI=1S/C25H37N/c1-8-26(9-2)23-14-12-20(13-15-23)10-11-21-16-22(17-24(3,4)5)19-25(6,7)18-21/h10-17H,8-9,18-19H2,1-7H3/b11-10+,22-17-
InChIKeyOUUWEJYXCLGQLW-LTESUWHSSA-N
XLogP7.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline 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

Dimethyl-p-toluidine
CID 7471
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
Basic Violet 4
CID 16955
3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine
CID 118703
N-Ethyl-N-benzylaniline
CID 7098
4,4'-Dioctyldiphenylamine
CID 7569
Depramine
CID 67534
N,N-dimethyl-m-toluidine
CID 8488

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline (CID 89308319) is 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=C/C2=C/C(=C/C(C)(C)C)CC(C)(C)C2)cc1.
What is the InChIKey of 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline?
The InChIKey is OUUWEJYXCLGQLW-LTESUWHSSA-N. The full InChI is InChI=1S/C25H37N/c1-8-26(9-2)23-14-12-20(13-15-23)10-11-21-16-22(17-24(3,4)5)19-25(6,7)18-21/h10-17H,8-9,18-19H2,1-7H3/b11-10+,22-17-.
What are the key properties of 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline?
4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline has a molecular weight of 351.58 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(3E)-3-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 89308319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).