tert-butyl N,N-dibutylcarbamate

C13H27NO2 — CID 56986891

IUPACtert-butyl N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-6-8-10-14(11-9-7-2)12(15)16-13(3,4)5/h6-11H2,1-5H3
InChIKeyBIOGUNMFAFKPLK-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.82
Rot. Bonds6

About tert-butyl N,N-dibutylcarbamate

tert-butyl N,N-dibutylcarbamate (PubChem CID 56986891) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is tert-butyl N,N-dibutylcarbamate.

Molecular Properties

Compound Nametert-butyl N,N-dibutylcarbamate
PubChem CID56986891
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nametert-butyl N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-6-8-10-14(11-9-7-2)12(15)16-13(3,4)5/h6-11H2,1-5H3
InChIKeyBIOGUNMFAFKPLK-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.82
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-dibutylcarbamate?
The IUPAC name of tert-butyl N,N-dibutylcarbamate (CID 56986891) is tert-butyl N,N-dibutylcarbamate.
What is the SMILES notation for tert-butyl N,N-dibutylcarbamate?
The canonical SMILES for tert-butyl N,N-dibutylcarbamate is CCCCN(CCCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N,N-dibutylcarbamate?
The InChIKey is BIOGUNMFAFKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-8-10-14(11-9-7-2)12(15)16-13(3,4)5/h6-11H2,1-5H3.
What are the key properties of tert-butyl N,N-dibutylcarbamate?
tert-butyl N,N-dibutylcarbamate has a molecular weight of 229.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-dibutylcarbamate is sourced from PubChem (CID 56986891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).