sodium N,N-diethylcarbamate

C5H10NNaO2 — CID 23701535

IUPACsodium N,N-diethylcarbamate
SMILESCCN(CC)C(=O)[O-].[Na+]
InChIInChI=1S/C5H11NO2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyAHZKCYLEXBHQRU-UHFFFAOYSA-M
MW139.13 g/mol
LogP-3.32
Rot. Bonds2

About sodium N,N-diethylcarbamate

sodium N,N-diethylcarbamate (PubChem CID 23701535) has the molecular formula C5H10NNaO2 and a molecular weight of 139.13 g/mol. Its IUPAC name is sodium N,N-diethylcarbamate.

Molecular Properties

Compound Namesodium N,N-diethylcarbamate
PubChem CID23701535
Molecular FormulaC5H10NNaO2
Molecular Weight139.13 g/mol
Exact Mass139.06
IUPAC Namesodium N,N-diethylcarbamate
SMILESCCN(CC)C(=O)[O-].[Na+]
InChIInChI=1S/C5H11NO2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyAHZKCYLEXBHQRU-UHFFFAOYSA-M
XLogP-3.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-3.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium N,N-diethylcarbamate 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 sodium N,N-diethylcarbamate?
The IUPAC name of sodium N,N-diethylcarbamate (CID 23701535) is sodium N,N-diethylcarbamate.
What is the SMILES notation for sodium N,N-diethylcarbamate?
The canonical SMILES for sodium N,N-diethylcarbamate is CCN(CC)C(=O)[O-].[Na+].
What is the InChIKey of sodium N,N-diethylcarbamate?
The InChIKey is AHZKCYLEXBHQRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium N,N-diethylcarbamate?
sodium N,N-diethylcarbamate has a molecular weight of 139.13 g/mol, XLogP of -3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N,N-diethylcarbamate is sourced from PubChem (CID 23701535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).