[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium

C15H21N2+ — CID 134924887

IUPAC[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium
SMILESCN(C)c1ccc(/C=C/C=C/C=[N+](C)C)cc1
InChIInChI=1S/C15H21N2/c1-16(2)13-7-5-6-8-14-9-11-15(12-10-14)17(3)4/h5-13H,1-4H3/q+1
InChIKeyCNGSNSSERQJTMF-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.66
Rot. Bonds4

About [(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium

[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium (PubChem CID 134924887) has the molecular formula C15H21N2+ and a molecular weight of 229.35 g/mol. Its IUPAC name is [(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium.

Molecular Properties

Compound Name[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium
PubChem CID134924887
Molecular FormulaC15H21N2+
Molecular Weight229.35 g/mol
Exact Mass229.17
IUPAC Name[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium
SMILESCN(C)c1ccc(/C=C/C=C/C=[N+](C)C)cc1
InChIInChI=1S/C15H21N2/c1-16(2)13-7-5-6-8-14-9-11-15(12-10-14)17(3)4/h5-13H,1-4H3/q+1
InChIKeyCNGSNSSERQJTMF-UHFFFAOYSA-N
XLogP2.66
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.66
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
N,N-dimethyl-4-[(1E,3E,5E)-6-(1-methylpyridin-1-ium-4-yl)hexa-1,3,5-trienyl]aniline
CID 20657517
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(1E,3E)-4-fluorobuta-1,3-dienyl]-N,N-dimethylaniline
CID 10821548
[(2Z,4E,6E)-7-[4-(dimethylamino)phenyl]hepta-2,4,6-trienylidene]azanium
CID 143521893
4-[(1Z,3E)-4-fluorobuta-1,3-dienyl]-N,N-dimethylaniline
CID 101097546
N,N-dimethyl-4-[(1E,3E)-4-(1-methylpyridin-1-ium-4-yl)buta-1,3-dienyl]aniline iodide
CID 45488916
[4-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]phenyl]boronic acid
CID 10017260
[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-bis(1-hydroxyethyl)azanium
CID 67602401
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
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium?
The IUPAC name of [(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium (CID 134924887) is [(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium.
What is the SMILES notation for [(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium?
The canonical SMILES for [(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium is CN(C)c1ccc(/C=C/C=C/C=[N+](C)C)cc1.
What is the InChIKey of [(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium?
The InChIKey is CNGSNSSERQJTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N2/c1-16(2)13-7-5-6-8-14-9-11-15(12-10-14)17(3)4/h5-13H,1-4H3/q+1.
What are the key properties of [(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium?
[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium has a molecular weight of 229.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium is sourced from PubChem (CID 134924887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).