[(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium

C6H12ClN2+ — CID 153236668

IUPAC[(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium
SMILESCN/C=C/C(Cl)=[N+](C)C
InChIInChI=1S/C6H11ClN2/c1-8-5-4-6(7)9(2)3/h4-5H,1-3H3/p+1
InChIKeyWQPVYIFABLYQNL-UHFFFAOYSA-O
MW147.63 g/mol
LogP0.63
Rot. Bonds2

About [(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium

[(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium (PubChem CID 153236668) has the molecular formula C6H12ClN2+ and a molecular weight of 147.63 g/mol. Its IUPAC name is [(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium
PubChem CID153236668
Molecular FormulaC6H12ClN2+
Molecular Weight147.63 g/mol
Exact Mass147.07
IUPAC Name[(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium
SMILESCN/C=C/C(Cl)=[N+](C)C
InChIInChI=1S/C6H11ClN2/c1-8-5-4-6(7)9(2)3/h4-5H,1-3H3/p+1
InChIKeyWQPVYIFABLYQNL-UHFFFAOYSA-O
XLogP0.63
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.63
LogP ≤ 50.63
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 [(E)-1-chloro-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 [(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium (CID 153236668) is [(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium is CN/C=C/C(Cl)=[N+](C)C.
What is the InChIKey of [(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium?
The InChIKey is WQPVYIFABLYQNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11ClN2/c1-8-5-4-6(7)9(2)3/h4-5H,1-3H3/p+1.
What are the key properties of [(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium?
[(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium has a molecular weight of 147.63 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 153236668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).