tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate

C14H27NO2 — CID 118422917

IUPACtert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
SMILESCC(C)CC1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-10(2)7-11-8-12(9-11)15(6)13(16)17-14(3,4)5/h10-12H,7-9H2,1-6H3
InChIKeyZRBGOEWOVVNPGE-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate

tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate (PubChem CID 118422917) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
PubChem CID118422917
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
SMILESCC(C)CC1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-10(2)7-11-8-12(9-11)15(6)13(16)17-14(3,4)5/h10-12H,7-9H2,1-6H3
InChIKeyZRBGOEWOVVNPGE-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
CID 174271276
tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
CID 138695042
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate
CID 164574327
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate
CID 178156081
tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate
CID 170767545
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]propanoic acid
CID 22567910
tert-butyl N-methyl-N-[4-[(3-methylcyclobutyl)amino]cyclohexyl]carbamate
CID 107255790
tert-butyl N-methyl-N-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 87119309

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate (CID 118422917) is tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate is CC(C)CC1CC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate?
The InChIKey is ZRBGOEWOVVNPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)7-11-8-12(9-11)15(6)13(16)17-14(3,4)5/h10-12H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate?
tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate has a molecular weight of 241.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate is sourced from PubChem (CID 118422917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).