[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium

C11H19N2+ — CID 13081060

IUPAC[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium
SMILESCN(C)/C=C/C=C/C=C/C=[N+](C)C
InChIInChI=1S/C11H19N2/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-11H,1-4H3/q+1
InChIKeyYEFWSFBHAKUJHV-UHFFFAOYSA-N
MW179.29 g/mol
LogP1.52
Rot. Bonds4

About [(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium

[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium (PubChem CID 13081060) has the molecular formula C11H19N2+ and a molecular weight of 179.29 g/mol. Its IUPAC name is [(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium.

Molecular Properties

Compound Name[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium
PubChem CID13081060
Molecular FormulaC11H19N2+
Molecular Weight179.29 g/mol
Exact Mass179.15
IUPAC Name[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium
SMILESCN(C)/C=C/C=C/C=C/C=[N+](C)C
InChIInChI=1S/C11H19N2/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-11H,1-4H3/q+1
InChIKeyYEFWSFBHAKUJHV-UHFFFAOYSA-N
XLogP1.52
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.52
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 [(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium?
The IUPAC name of [(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium (CID 13081060) is [(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium.
What is the SMILES notation for [(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium?
The canonical SMILES for [(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium is CN(C)/C=C/C=C/C=C/C=[N+](C)C.
What is the InChIKey of [(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium?
The InChIKey is YEFWSFBHAKUJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-11H,1-4H3/q+1.
What are the key properties of [(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium?
[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium has a molecular weight of 179.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium is sourced from PubChem (CID 13081060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).