4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline

C18H23N — CID 23583812

IUPAC4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline
SMILESCC1=C(C)CC(/C=C/c2ccc(N(C)C)cc2)=CC1
InChIInChI=1S/C18H23N/c1-14-5-6-17(13-15(14)2)8-7-16-9-11-18(12-10-16)19(3)4/h6-12H,5,13H2,1-4H3/b8-7+
InChIKeyJKCGXXIWELRNDU-BQYQJAHWSA-N
MW253.39 g/mol
LogP4.82
Rot. Bonds3

About 4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 23583812) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline
PubChem CID23583812
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline
SMILESCC1=C(C)CC(/C=C/c2ccc(N(C)C)cc2)=CC1
InChIInChI=1S/C18H23N/c1-14-5-6-17(13-15(14)2)8-7-16-9-11-18(12-10-16)19(3)4/h6-12H,5,13H2,1-4H3/b8-7+
InChIKeyJKCGXXIWELRNDU-BQYQJAHWSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
3-[2-[4-(dimethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-one
CID 72615032
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrazin-2-yl]ethenyl]-N,N-dimethylaniline
CID 50936651
4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 10895598

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline (CID 23583812) is 4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline is CC1=C(C)CC(/C=C/c2ccc(N(C)C)cc2)=CC1.
What is the InChIKey of 4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is JKCGXXIWELRNDU-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H23N/c1-14-5-6-17(13-15(14)2)8-7-16-9-11-18(12-10-16)19(3)4/h6-12H,5,13H2,1-4H3/b8-7+.
What are the key properties of 4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4,5-dimethylcyclohexa-1,4-dien-1-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 23583812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).