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

Analyze tert-butyl N,N-di(cyclobutyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
CID 154998041
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate
CID 155630413
tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate
CID 67227612
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 135076172
2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid
CID 66566460
tert-butyl N-carbamoyl-N-cyclopentylcarbamate
CID 141307871
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-(3,3-difluorocyclohexyl)-N-methylcarbamate
CID 154432366
tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate
CID 141116131
tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate
CID 141044538

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).