trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride

C19H40ClNO2 — CID 10427927

IUPACtrimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride
SMILESCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C19H40NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18-20(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyWCKGDYKKHSOJQE-UHFFFAOYSA-M
MW349.99 g/mol
LogP1.94
Rot. Bonds15

About trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride

trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride (PubChem CID 10427927) has the molecular formula C19H40ClNO2 and a molecular weight of 349.99 g/mol. Its IUPAC name is trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride
PubChem CID10427927
Molecular FormulaC19H40ClNO2
Molecular Weight349.99 g/mol
Exact Mass349.27
IUPAC Nametrimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride
SMILESCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C19H40NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18-20(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyWCKGDYKKHSOJQE-UHFFFAOYSA-M
XLogP1.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.99
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride 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 trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride?
The IUPAC name of trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride (CID 10427927) is trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride.
What is the SMILES notation for trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride?
The canonical SMILES for trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride is CCCCCCCCCCCCCCOC(=O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride?
The InChIKey is WCKGDYKKHSOJQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H40NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18-20(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride?
trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride has a molecular weight of 349.99 g/mol, XLogP of 1.94, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-oxo-2-tetradecoxyethyl)azanium chloride is sourced from PubChem (CID 10427927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).