acetyl-ethyl-dimethoxyazanium

C6H14NO3+ — CID 54374176

IUPACacetyl-ethyl-dimethoxyazanium
SMILESCC[N+](OC)(OC)C(C)=O
InChIInChI=1S/C6H14NO3/c1-5-7(9-3,10-4)6(2)8/h5H2,1-4H3/q+1
InChIKeyXWGRETAXDZCTSN-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.49
Rot. Bonds3

About acetyl-ethyl-dimethoxyazanium

acetyl-ethyl-dimethoxyazanium (PubChem CID 54374176) has the molecular formula C6H14NO3+ and a molecular weight of 148.18 g/mol. Its IUPAC name is acetyl-ethyl-dimethoxyazanium.

Molecular Properties

Compound Nameacetyl-ethyl-dimethoxyazanium
PubChem CID54374176
Molecular FormulaC6H14NO3+
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Nameacetyl-ethyl-dimethoxyazanium
SMILESCC[N+](OC)(OC)C(C)=O
InChIInChI=1S/C6H14NO3/c1-5-7(9-3,10-4)6(2)8/h5H2,1-4H3/q+1
InChIKeyXWGRETAXDZCTSN-UHFFFAOYSA-N
XLogP0.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetyl-ethyl-dimethoxyazanium 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 acetyl-ethyl-dimethoxyazanium?
The IUPAC name of acetyl-ethyl-dimethoxyazanium (CID 54374176) is acetyl-ethyl-dimethoxyazanium.
What is the SMILES notation for acetyl-ethyl-dimethoxyazanium?
The canonical SMILES for acetyl-ethyl-dimethoxyazanium is CC[N+](OC)(OC)C(C)=O.
What is the InChIKey of acetyl-ethyl-dimethoxyazanium?
The InChIKey is XWGRETAXDZCTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3/c1-5-7(9-3,10-4)6(2)8/h5H2,1-4H3/q+1.
What are the key properties of acetyl-ethyl-dimethoxyazanium?
acetyl-ethyl-dimethoxyazanium has a molecular weight of 148.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-ethyl-dimethoxyazanium is sourced from PubChem (CID 54374176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).