[2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium

C9H19N3+2 — CID 18717958

IUPAC[2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium
SMILESCNC=C(C=[N+](C)C)C=[N+](C)C
InChIInChI=1S/C9H18N3/c1-10-6-9(7-11(2)3)8-12(4)5/h6-8H,1-5H3/q+1/p+1
InChIKeyPTDVYBVKOASGST-UHFFFAOYSA-O
MW169.27 g/mol
LogP-0.22
Rot. Bonds3

About [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium

[2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium (PubChem CID 18717958) has the molecular formula C9H19N3+2 and a molecular weight of 169.27 g/mol. Its IUPAC name is [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium
PubChem CID18717958
Molecular FormulaC9H19N3+2
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name[2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium
SMILESCNC=C(C=[N+](C)C)C=[N+](C)C
InChIInChI=1S/C9H18N3/c1-10-6-9(7-11(2)3)8-12(4)5/h6-8H,1-5H3/q+1/p+1
InChIKeyPTDVYBVKOASGST-UHFFFAOYSA-O
XLogP-0.22
TPSA18.05 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium (CID 18717958) is [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium is CNC=C(C=[N+](C)C)C=[N+](C)C.
What is the InChIKey of [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium?
The InChIKey is PTDVYBVKOASGST-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N3/c1-10-6-9(7-11(2)3)8-12(4)5/h6-8H,1-5H3/q+1/p+1.
What are the key properties of [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium?
[2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium has a molecular weight of 169.27 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 18717958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).