[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium

C7H15N2Y+ — CID 165078806

IUPAC[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium
SMILESCN(C)/C=C/C=[N+](C)C.[Y]
InChIInChI=1S/C7H15N2.Y/c1-8(2)6-5-7-9(3)4;/h5-7H,1-4H3;/q+1;
InChIKeyACTISGHDYMAHEA-UHFFFAOYSA-N
MW216.12 g/mol
LogP0.40
Rot. Bonds2

About [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium

[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium (PubChem CID 165078806) has the molecular formula C7H15N2Y+ and a molecular weight of 216.12 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium
PubChem CID165078806
Molecular FormulaC7H15N2Y+
Molecular Weight216.12 g/mol
Exact Mass216.03
IUPAC Name[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium
SMILESCN(C)/C=C/C=[N+](C)C.[Y]
InChIInChI=1S/C7H15N2.Y/c1-8(2)6-5-7-9(3)4;/h5-7H,1-4H3;/q+1;
InChIKeyACTISGHDYMAHEA-UHFFFAOYSA-N
XLogP0.40
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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)prop-2-enylidene]-dimethylazanium;yttrium?
The IUPAC name of [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium (CID 165078806) is [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium.
What is the SMILES notation for [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium?
The canonical SMILES for [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium is CN(C)/C=C/C=[N+](C)C.[Y].
What is the InChIKey of [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium?
The InChIKey is ACTISGHDYMAHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2.Y/c1-8(2)6-5-7-9(3)4;/h5-7H,1-4H3;/q+1;.
What are the key properties of [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium?
[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium has a molecular weight of 216.12 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium is sourced from PubChem (CID 165078806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).