tert-butyl N,N-diethylcarbamate

C9H19NO2 — CID 13314074

IUPACtert-butyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6-10(7-2)8(11)12-9(3,4)5/h6-7H2,1-5H3
InChIKeyAUYMZOKWXOTXHN-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.26
Rot. Bonds2

About tert-butyl N,N-diethylcarbamate

tert-butyl N,N-diethylcarbamate (PubChem CID 13314074) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl N,N-diethylcarbamate.

Molecular Properties

Compound Nametert-butyl N,N-diethylcarbamate
PubChem CID13314074
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6-10(7-2)8(11)12-9(3,4)5/h6-7H2,1-5H3
InChIKeyAUYMZOKWXOTXHN-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-diethylcarbamate?
The IUPAC name of tert-butyl N,N-diethylcarbamate (CID 13314074) is tert-butyl N,N-diethylcarbamate.
What is the SMILES notation for tert-butyl N,N-diethylcarbamate?
The canonical SMILES for tert-butyl N,N-diethylcarbamate is CCN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N,N-diethylcarbamate?
The InChIKey is AUYMZOKWXOTXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-10(7-2)8(11)12-9(3,4)5/h6-7H2,1-5H3.
What are the key properties of tert-butyl N,N-diethylcarbamate?
tert-butyl N,N-diethylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-diethylcarbamate is sourced from PubChem (CID 13314074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).