ethoxycarbonyl(trimethyl)azanium

C6H14NO2+ — CID 14913209

IUPACethoxycarbonyl(trimethyl)azanium
SMILESCCOC(=O)[N+](C)(C)C
InChIInChI=1S/C6H14NO2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3/q+1
InChIKeyFNQBGNJYACSDDV-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.85
Rot. Bonds1

About ethoxycarbonyl(trimethyl)azanium

ethoxycarbonyl(trimethyl)azanium (PubChem CID 14913209) has the molecular formula C6H14NO2+ and a molecular weight of 132.18 g/mol. Its IUPAC name is ethoxycarbonyl(trimethyl)azanium.

Molecular Properties

Compound Nameethoxycarbonyl(trimethyl)azanium
PubChem CID14913209
Molecular FormulaC6H14NO2+
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Nameethoxycarbonyl(trimethyl)azanium
SMILESCCOC(=O)[N+](C)(C)C
InChIInChI=1S/C6H14NO2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3/q+1
InChIKeyFNQBGNJYACSDDV-UHFFFAOYSA-N
XLogP0.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, N,N-dimethyl-, ethyl ester
CID 12709
Ethyl diethylcarbamate
CID 19083
Ethyl N-methoxy-N-methylcarbamate
CID 533715
N-Acetoxymethyl-N-methylformamide
CID 164861
Isopropyl dimethylcarbamate
CID 95685
Carbamic acid, cyanomethyl-, ethyl ester
CID 109009
ethyl N-(chlorocarbonyl)-N-methylcarbamate
CID 12772347
2-bromoethyl N,N-dimethylcarbamate
CID 13179983
2-Fluoroethyl N,N-dimethylcarbamate
CID 89344688
Carbamic acid, dimethyl-, butyl ester
CID 4254211
Carbamic acid, ethylmethyl-, ethyl ester
CID 20062878
Carbamic acid, N,N-dimethyl-, 2-methoxyethyl ester
CID 3084950

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl(trimethyl)azanium?
The IUPAC name of ethoxycarbonyl(trimethyl)azanium (CID 14913209) is ethoxycarbonyl(trimethyl)azanium.
What is the SMILES notation for ethoxycarbonyl(trimethyl)azanium?
The canonical SMILES for ethoxycarbonyl(trimethyl)azanium is CCOC(=O)[N+](C)(C)C.
What is the InChIKey of ethoxycarbonyl(trimethyl)azanium?
The InChIKey is FNQBGNJYACSDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3/q+1.
What are the key properties of ethoxycarbonyl(trimethyl)azanium?
ethoxycarbonyl(trimethyl)azanium has a molecular weight of 132.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyl(trimethyl)azanium is sourced from PubChem (CID 14913209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).