[cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium

C11H19N2+ — CID 175800411

IUPAC[cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(C1C=CC=CC1)=[N+](C)C
InChIInChI=1S/C11H19N2/c1-12(2)11(13(3)4)10-8-6-5-7-9-10/h5-8,10H,9H2,1-4H3/q+1
InChIKeyCQAOQCCZOSGGCV-UHFFFAOYSA-N
MW179.29 g/mol
LogP1.35
Rot. Bonds1

About [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium

[cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium (PubChem CID 175800411) has the molecular formula C11H19N2+ and a molecular weight of 179.29 g/mol. Its IUPAC name is [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium
PubChem CID175800411
Molecular FormulaC11H19N2+
Molecular Weight179.29 g/mol
Exact Mass179.15
IUPAC Name[cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(C1C=CC=CC1)=[N+](C)C
InChIInChI=1S/C11H19N2/c1-12(2)11(13(3)4)10-8-6-5-7-9-10/h5-8,10H,9H2,1-4H3/q+1
InChIKeyCQAOQCCZOSGGCV-UHFFFAOYSA-N
XLogP1.35
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.35
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-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 [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium (CID 175800411) is [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium is CN(C)C(C1C=CC=CC1)=[N+](C)C.
What is the InChIKey of [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is CQAOQCCZOSGGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2/c1-12(2)11(13(3)4)10-8-6-5-7-9-10/h5-8,10H,9H2,1-4H3/q+1.
What are the key properties of [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium?
[cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 179.29 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexa-2,4-dien-1-yl(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 175800411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).