[chloro(diethylamino)methylidene]-diethylazanium chloride

C9H20Cl2N2 — CID 10900351

IUPAC[chloro(diethylamino)methylidene]-diethylazanium chloride
SMILESCCN(CC)C(Cl)=[N+](CC)CC.[Cl-]
InChIInChI=1S/C9H20ClN2.ClH/c1-5-11(6-2)9(10)12(7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyDKRPDJMYGSASOG-UHFFFAOYSA-M
MW227.18 g/mol
LogP-1.02
Rot. Bonds4

About [chloro(diethylamino)methylidene]-diethylazanium chloride

[chloro(diethylamino)methylidene]-diethylazanium chloride (PubChem CID 10900351) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is [chloro(diethylamino)methylidene]-diethylazanium chloride.

Molecular Properties

Compound Name[chloro(diethylamino)methylidene]-diethylazanium chloride
PubChem CID10900351
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name[chloro(diethylamino)methylidene]-diethylazanium chloride
SMILESCCN(CC)C(Cl)=[N+](CC)CC.[Cl-]
InChIInChI=1S/C9H20ClN2.ClH/c1-5-11(6-2)9(10)12(7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyDKRPDJMYGSASOG-UHFFFAOYSA-M
XLogP-1.02
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [chloro(diethylamino)methylidene]-diethylazanium chloride 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 [chloro(diethylamino)methylidene]-diethylazanium chloride?
The IUPAC name of [chloro(diethylamino)methylidene]-diethylazanium chloride (CID 10900351) is [chloro(diethylamino)methylidene]-diethylazanium chloride.
What is the SMILES notation for [chloro(diethylamino)methylidene]-diethylazanium chloride?
The canonical SMILES for [chloro(diethylamino)methylidene]-diethylazanium chloride is CCN(CC)C(Cl)=[N+](CC)CC.[Cl-].
What is the InChIKey of [chloro(diethylamino)methylidene]-diethylazanium chloride?
The InChIKey is DKRPDJMYGSASOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20ClN2.ClH/c1-5-11(6-2)9(10)12(7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of [chloro(diethylamino)methylidene]-diethylazanium chloride?
[chloro(diethylamino)methylidene]-diethylazanium chloride has a molecular weight of 227.18 g/mol, XLogP of -1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(diethylamino)methylidene]-diethylazanium chloride is sourced from PubChem (CID 10900351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).