bis(methoxymethyl)-dimethylazanium;carbanide

C7H19NO2 — CID 158309201

IUPACbis(methoxymethyl)-dimethylazanium;carbanide
SMILESCOC[N+](C)(C)COC.[CH3-]
InChIInChI=1S/C6H16NO2.CH3/c1-7(2,5-8-3)6-9-4;/h5-6H2,1-4H3;1H3/q+1;-1
InChIKeyGNLUORCNTFFZOU-UHFFFAOYSA-N
MW149.23 g/mol
LogP0.72
Rot. Bonds4

About bis(methoxymethyl)-dimethylazanium;carbanide

bis(methoxymethyl)-dimethylazanium;carbanide (PubChem CID 158309201) has the molecular formula C7H19NO2 and a molecular weight of 149.23 g/mol. Its IUPAC name is bis(methoxymethyl)-dimethylazanium;carbanide.

Molecular Properties

Compound Namebis(methoxymethyl)-dimethylazanium;carbanide
PubChem CID158309201
Molecular FormulaC7H19NO2
Molecular Weight149.23 g/mol
Exact Mass149.14
IUPAC Namebis(methoxymethyl)-dimethylazanium;carbanide
SMILESCOC[N+](C)(C)COC.[CH3-]
InChIInChI=1S/C6H16NO2.CH3/c1-7(2,5-8-3)6-9-4;/h5-6H2,1-4H3;1H3/q+1;-1
InChIKeyGNLUORCNTFFZOU-UHFFFAOYSA-N
XLogP0.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis(methoxymethyl)-dimethylazanium;carbanide 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 bis(methoxymethyl)-dimethylazanium;carbanide?
The IUPAC name of bis(methoxymethyl)-dimethylazanium;carbanide (CID 158309201) is bis(methoxymethyl)-dimethylazanium;carbanide.
What is the SMILES notation for bis(methoxymethyl)-dimethylazanium;carbanide?
The canonical SMILES for bis(methoxymethyl)-dimethylazanium;carbanide is COC[N+](C)(C)COC.[CH3-].
What is the InChIKey of bis(methoxymethyl)-dimethylazanium;carbanide?
The InChIKey is GNLUORCNTFFZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO2.CH3/c1-7(2,5-8-3)6-9-4;/h5-6H2,1-4H3;1H3/q+1;-1.
What are the key properties of bis(methoxymethyl)-dimethylazanium;carbanide?
bis(methoxymethyl)-dimethylazanium;carbanide has a molecular weight of 149.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methoxymethyl)-dimethylazanium;carbanide is sourced from PubChem (CID 158309201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).