ethoxymethyl-diethyl-methylazanium

C8H20NO+ — CID 23136746

IUPACethoxymethyl-diethyl-methylazanium
SMILESCCOC[N+](C)(CC)CC
InChIInChI=1S/C8H20NO/c1-5-9(4,6-2)8-10-7-3/h5-8H2,1-4H3/q+1
InChIKeyVRTBTDVPBFYRMM-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.47
Rot. Bonds5

About ethoxymethyl-diethyl-methylazanium

ethoxymethyl-diethyl-methylazanium (PubChem CID 23136746) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is ethoxymethyl-diethyl-methylazanium.

Molecular Properties

Compound Nameethoxymethyl-diethyl-methylazanium
PubChem CID23136746
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Nameethoxymethyl-diethyl-methylazanium
SMILESCCOC[N+](C)(CC)CC
InChIInChI=1S/C8H20NO/c1-5-9(4,6-2)8-10-7-3/h5-8H2,1-4H3/q+1
InChIKeyVRTBTDVPBFYRMM-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethoxymethyl-diethyl-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 ethoxymethyl-diethyl-methylazanium?
The IUPAC name of ethoxymethyl-diethyl-methylazanium (CID 23136746) is ethoxymethyl-diethyl-methylazanium.
What is the SMILES notation for ethoxymethyl-diethyl-methylazanium?
The canonical SMILES for ethoxymethyl-diethyl-methylazanium is CCOC[N+](C)(CC)CC.
What is the InChIKey of ethoxymethyl-diethyl-methylazanium?
The InChIKey is VRTBTDVPBFYRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-5-9(4,6-2)8-10-7-3/h5-8H2,1-4H3/q+1.
What are the key properties of ethoxymethyl-diethyl-methylazanium?
ethoxymethyl-diethyl-methylazanium has a molecular weight of 146.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl-diethyl-methylazanium is sourced from PubChem (CID 23136746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).