[(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium

C19H31N2+ — CID 3092170

IUPAC[(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium
SMILESCCCCCCc1ccc(/C(C=[N+](C)C)=C\N(C)C)cc1
InChIInChI=1S/C19H31N2/c1-6-7-8-9-10-17-11-13-18(14-12-17)19(15-20(2)3)16-21(4)5/h11-16H,6-10H2,1-5H3/q+1
InChIKeyDVBZBXPXKXKJTN-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.05
Rot. Bonds8

About [(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium

[(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium (PubChem CID 3092170) has the molecular formula C19H31N2+ and a molecular weight of 287.47 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium
PubChem CID3092170
Molecular FormulaC19H31N2+
Molecular Weight287.47 g/mol
Exact Mass287.25
IUPAC Name[(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium
SMILESCCCCCCc1ccc(/C(C=[N+](C)C)=C\N(C)C)cc1
InChIInChI=1S/C19H31N2/c1-6-7-8-9-10-17-11-13-18(14-12-17)19(15-20(2)3)16-21(4)5/h11-16H,6-10H2,1-5H3/q+1
InChIKeyDVBZBXPXKXKJTN-UHFFFAOYSA-N
XLogP4.05
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium (CID 3092170) is [(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium is CCCCCCc1ccc(/C(C=[N+](C)C)=C\N(C)C)cc1.
What is the InChIKey of [(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium?
The InChIKey is DVBZBXPXKXKJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N2/c1-6-7-8-9-10-17-11-13-18(14-12-17)19(15-20(2)3)16-21(4)5/h11-16H,6-10H2,1-5H3/q+1.
What are the key properties of [(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium?
[(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium has a molecular weight of 287.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 3092170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).