diethyl-(2-methoxyethyl)-methylazanium

C8H20NO+ — CID 11487124

IUPACdiethyl-(2-methoxyethyl)-methylazanium
SMILESCC[N+](C)(CC)CCOC
InChIInChI=1S/C8H20NO/c1-5-9(3,6-2)7-8-10-4/h5-8H2,1-4H3/q+1
InChIKeyBXHHZLMBMOBPEH-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.12
Rot. Bonds5

About diethyl-(2-methoxyethyl)-methylazanium

diethyl-(2-methoxyethyl)-methylazanium (PubChem CID 11487124) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is diethyl-(2-methoxyethyl)-methylazanium.

Molecular Properties

Compound Namediethyl-(2-methoxyethyl)-methylazanium
PubChem CID11487124
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Namediethyl-(2-methoxyethyl)-methylazanium
SMILESCC[N+](C)(CC)CCOC
InChIInChI=1S/C8H20NO/c1-5-9(3,6-2)7-8-10-4/h5-8H2,1-4H3/q+1
InChIKeyBXHHZLMBMOBPEH-UHFFFAOYSA-N
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze diethyl-(2-methoxyethyl)-methylazanium 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 diethyl-(2-methoxyethyl)-methylazanium?
The IUPAC name of diethyl-(2-methoxyethyl)-methylazanium (CID 11487124) is diethyl-(2-methoxyethyl)-methylazanium.
What is the SMILES notation for diethyl-(2-methoxyethyl)-methylazanium?
The canonical SMILES for diethyl-(2-methoxyethyl)-methylazanium is CC[N+](C)(CC)CCOC.
What is the InChIKey of diethyl-(2-methoxyethyl)-methylazanium?
The InChIKey is BXHHZLMBMOBPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-5-9(3,6-2)7-8-10-4/h5-8H2,1-4H3/q+1.
What are the key properties of diethyl-(2-methoxyethyl)-methylazanium?
diethyl-(2-methoxyethyl)-methylazanium has a molecular weight of 146.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-methoxyethyl)-methylazanium is sourced from PubChem (CID 11487124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).