4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline

C21H26N2 — CID 58612965

IUPAC4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H26N2/c1-22(2)20-14-10-18(11-15-20)8-6-5-7-9-19-12-16-21(17-13-19)23(3)4/h6-17H,5H2,1-4H3/b8-6+,9-7+
InChIKeyGRWBTWKTPFFWPD-CDJQDVQCSA-N
MW306.45 g/mol
LogP4.94
Rot. Bonds6

About 4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline

4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline (PubChem CID 58612965) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
PubChem CID58612965
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H26N2/c1-22(2)20-14-10-18(11-15-20)8-6-5-7-9-19-12-16-21(17-13-19)23(3)4/h6-17H,5H2,1-4H3/b8-6+,9-7+
InChIKeyGRWBTWKTPFFWPD-CDJQDVQCSA-N
XLogP4.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
CID 173417054
CID 173417054
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline
CID 91934001
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
4-[(E)-hept-1-enyl]-N,N-dimethylaniline
CID 101050911
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
tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium
CID 10794043
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
4-(9-iodonon-1-enyl)-N,N-dimethylaniline
CID 139765712

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline (CID 58612965) is 4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/C/C=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline?
The InChIKey is GRWBTWKTPFFWPD-CDJQDVQCSA-N. The full InChI is InChI=1S/C21H26N2/c1-22(2)20-14-10-18(11-15-20)8-6-5-7-9-19-12-16-21(17-13-19)23(3)4/h6-17H,5H2,1-4H3/b8-6+,9-7+.
What are the key properties of 4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline?
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline has a molecular weight of 306.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline is sourced from PubChem (CID 58612965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).