[chloro(diethylamino)methylidene]-diethylazanium

C9H20ClN2+ — CID 10900352

IUPAC[chloro(diethylamino)methylidene]-diethylazanium
SMILESCCN(CC)C(Cl)=[N+](CC)CC
InChIInChI=1S/C9H20ClN2/c1-5-11(6-2)9(10)12(7-3)8-4/h5-8H2,1-4H3/q+1
InChIKeyLTYKFMZSYFBFCD-UHFFFAOYSA-N
MW191.73 g/mol
LogP1.98
Rot. Bonds4

About [chloro(diethylamino)methylidene]-diethylazanium

[chloro(diethylamino)methylidene]-diethylazanium (PubChem CID 10900352) has the molecular formula C9H20ClN2+ and a molecular weight of 191.73 g/mol. Its IUPAC name is [chloro(diethylamino)methylidene]-diethylazanium.

Molecular Properties

Compound Name[chloro(diethylamino)methylidene]-diethylazanium
PubChem CID10900352
Molecular FormulaC9H20ClN2+
Molecular Weight191.73 g/mol
Exact Mass191.13
IUPAC Name[chloro(diethylamino)methylidene]-diethylazanium
SMILESCCN(CC)C(Cl)=[N+](CC)CC
InChIInChI=1S/C9H20ClN2/c1-5-11(6-2)9(10)12(7-3)8-4/h5-8H2,1-4H3/q+1
InChIKeyLTYKFMZSYFBFCD-UHFFFAOYSA-N
XLogP1.98
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.73
LogP ≤ 51.98
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 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?
The IUPAC name of [chloro(diethylamino)methylidene]-diethylazanium (CID 10900352) is [chloro(diethylamino)methylidene]-diethylazanium.
What is the SMILES notation for [chloro(diethylamino)methylidene]-diethylazanium?
The canonical SMILES for [chloro(diethylamino)methylidene]-diethylazanium is CCN(CC)C(Cl)=[N+](CC)CC.
What is the InChIKey of [chloro(diethylamino)methylidene]-diethylazanium?
The InChIKey is LTYKFMZSYFBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClN2/c1-5-11(6-2)9(10)12(7-3)8-4/h5-8H2,1-4H3/q+1.
What are the key properties of [chloro(diethylamino)methylidene]-diethylazanium?
[chloro(diethylamino)methylidene]-diethylazanium has a molecular weight of 191.73 g/mol, XLogP of 1.98, 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 is sourced from PubChem (CID 10900352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).