diethylcarbamic acid;N-ethylethanamine

C9H22N2O2 — CID 14597070

IUPACdiethylcarbamic acid;N-ethylethanamine
SMILESCCN(CC)C(=O)O.CCNCC
InChIInChI=1S/C5H11NO2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3
InChIKeyVPMRKXZSCHVIJE-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.62
Rot. Bonds4

About diethylcarbamic acid;N-ethylethanamine

diethylcarbamic acid;N-ethylethanamine (PubChem CID 14597070) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is diethylcarbamic acid;N-ethylethanamine.

Molecular Properties

Compound Namediethylcarbamic acid;N-ethylethanamine
PubChem CID14597070
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Namediethylcarbamic acid;N-ethylethanamine
SMILESCCN(CC)C(=O)O.CCNCC
InChIInChI=1S/C5H11NO2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3
InChIKeyVPMRKXZSCHVIJE-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Diethylammonium-N,N'-diethylcarbamat
CID 20149954
Triethylammonium hydrogen carbonate
CID 11768884
Methyl(2-(methylamino)ethyl)carbamic acid
CID 18404227
Dipropyl ammonium dipropyl carbamate
CID 20149960
2-(2-Fluoroethylamino)ethyl-methylcarbamic acid
CID 169704915
2-Fluoroethyl-[2-(methylamino)ethyl]carbamic acid
CID 169710093
Tetraethyl-ammonium bromide triethylammonium bicarbonate
CID 134812933
2-Aminoethyl-carboxy-diethylazanium
CID 134927556
di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine
CID 14741619
di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate
CID 121004008
Ethanamine;ethylcarbamic acid
CID 12921251
2-Aminoethyl(ethyl)carbamic acid
CID 13720472

Frequently Asked Questions

What is the IUPAC name of diethylcarbamic acid;N-ethylethanamine?
The IUPAC name of diethylcarbamic acid;N-ethylethanamine (CID 14597070) is diethylcarbamic acid;N-ethylethanamine.
What is the SMILES notation for diethylcarbamic acid;N-ethylethanamine?
The canonical SMILES for diethylcarbamic acid;N-ethylethanamine is CCN(CC)C(=O)O.CCNCC.
What is the InChIKey of diethylcarbamic acid;N-ethylethanamine?
The InChIKey is VPMRKXZSCHVIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3.
What are the key properties of diethylcarbamic acid;N-ethylethanamine?
diethylcarbamic acid;N-ethylethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylcarbamic acid;N-ethylethanamine is sourced from PubChem (CID 14597070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).