[5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium

C10H19N2+ — CID 2770074

IUPAC[5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium
SMILESCC(C=CN(C)C)=CC=[N+](C)C
InChIInChI=1S/C10H19N2/c1-10(6-8-11(2)3)7-9-12(4)5/h6-9H,1-5H3/q+1
InChIKeyJPSSBNYRQGFIBI-UHFFFAOYSA-N
MW167.28 g/mol
LogP1.35
Rot. Bonds3

About [5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium

[5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium (PubChem CID 2770074) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is [5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium.

Molecular Properties

Compound Name[5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium
PubChem CID2770074
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Name[5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium
SMILESCC(C=CN(C)C)=CC=[N+](C)C
InChIInChI=1S/C10H19N2/c1-10(6-8-11(2)3)7-9-12(4)5/h6-9H,1-5H3/q+1
InChIKeyJPSSBNYRQGFIBI-UHFFFAOYSA-N
XLogP1.35
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium?
The IUPAC name of [5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium (CID 2770074) is [5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium.
What is the SMILES notation for [5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium?
The canonical SMILES for [5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium is CC(C=CN(C)C)=CC=[N+](C)C.
What is the InChIKey of [5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium?
The InChIKey is JPSSBNYRQGFIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2/c1-10(6-8-11(2)3)7-9-12(4)5/h6-9H,1-5H3/q+1.
What are the key properties of [5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium?
[5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium has a molecular weight of 167.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium is sourced from PubChem (CID 2770074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).