benzene;ethyl N-ethylcarbamate;N-methylmethanamine

C13H24N2O2 — CID 67791296

IUPACbenzene;ethyl N-ethylcarbamate;N-methylmethanamine
SMILESCCNC(=O)OCC.CNC.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO2.C2H7N/c1-2-4-6-5-3-1;1-3-6-5(7)8-4-2;1-3-2/h1-6H;3-4H2,1-2H3,(H,6,7);3H,1-2H3
InChIKeyVBUHHVPHHHTHBN-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.27
Rot. Bonds2

About benzene;ethyl N-ethylcarbamate;N-methylmethanamine

benzene;ethyl N-ethylcarbamate;N-methylmethanamine (PubChem CID 67791296) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is benzene;ethyl N-ethylcarbamate;N-methylmethanamine.

Molecular Properties

Compound Namebenzene;ethyl N-ethylcarbamate;N-methylmethanamine
PubChem CID67791296
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namebenzene;ethyl N-ethylcarbamate;N-methylmethanamine
SMILESCCNC(=O)OCC.CNC.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO2.C2H7N/c1-2-4-6-5-3-1;1-3-6-5(7)8-4-2;1-3-2/h1-6H;3-4H2,1-2H3,(H,6,7);3H,1-2H3
InChIKeyVBUHHVPHHHTHBN-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;ethyl N-ethylcarbamate;N-methylmethanamine?
The IUPAC name of benzene;ethyl N-ethylcarbamate;N-methylmethanamine (CID 67791296) is benzene;ethyl N-ethylcarbamate;N-methylmethanamine.
What is the SMILES notation for benzene;ethyl N-ethylcarbamate;N-methylmethanamine?
The canonical SMILES for benzene;ethyl N-ethylcarbamate;N-methylmethanamine is CCNC(=O)OCC.CNC.c1ccccc1.
What is the InChIKey of benzene;ethyl N-ethylcarbamate;N-methylmethanamine?
The InChIKey is VBUHHVPHHHTHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H11NO2.C2H7N/c1-2-4-6-5-3-1;1-3-6-5(7)8-4-2;1-3-2/h1-6H;3-4H2,1-2H3,(H,6,7);3H,1-2H3.
What are the key properties of benzene;ethyl N-ethylcarbamate;N-methylmethanamine?
benzene;ethyl N-ethylcarbamate;N-methylmethanamine has a molecular weight of 240.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl N-ethylcarbamate;N-methylmethanamine is sourced from PubChem (CID 67791296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).