tert-butyl N,N-di(cyclobutyl)carbamate

C13H23NO2 — CID 162343429

IUPACtert-butyl N,N-di(cyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)N(C1CCC1)C1CCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)14(10-6-4-7-10)11-8-5-9-11/h10-11H,4-9H2,1-3H3
InChIKeyQUSFMZUPSSVSSB-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl N,N-di(cyclobutyl)carbamate

tert-butyl N,N-di(cyclobutyl)carbamate (PubChem CID 162343429) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N,N-di(cyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-di(cyclobutyl)carbamate
PubChem CID162343429
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N,N-di(cyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)N(C1CCC1)C1CCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)14(10-6-4-7-10)11-8-5-9-11/h10-11H,4-9H2,1-3H3
InChIKeyQUSFMZUPSSVSSB-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.33
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-di(cyclobutyl)carbamate?
The IUPAC name of tert-butyl N,N-di(cyclobutyl)carbamate (CID 162343429) is tert-butyl N,N-di(cyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N,N-di(cyclobutyl)carbamate?
The canonical SMILES for tert-butyl N,N-di(cyclobutyl)carbamate is CC(C)(C)OC(=O)N(C1CCC1)C1CCC1.
What is the InChIKey of tert-butyl N,N-di(cyclobutyl)carbamate?
The InChIKey is QUSFMZUPSSVSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)16-12(15)14(10-6-4-7-10)11-8-5-9-11/h10-11H,4-9H2,1-3H3.
What are the key properties of tert-butyl N,N-di(cyclobutyl)carbamate?
tert-butyl N,N-di(cyclobutyl)carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.33, 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-di(cyclobutyl)carbamate is sourced from PubChem (CID 162343429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).