tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate

C11H22BrNO2 — CID 130802428

IUPACtert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate
SMILESCC(C)C(C)(CBr)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22BrNO2/c1-8(2)11(6,7-12)13-9(14)15-10(3,4)5/h8H,7H2,1-6H3,(H,13,14)
InChIKeyXCHCAPDAQKVTPL-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.32
Rot. Bonds3

About tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate

tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate (PubChem CID 130802428) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate
PubChem CID130802428
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Nametert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate
SMILESCC(C)C(C)(CBr)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22BrNO2/c1-8(2)11(6,7-12)13-9(14)15-10(3,4)5/h8H,7H2,1-6H3,(H,13,14)
InChIKeyXCHCAPDAQKVTPL-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[(2R)-4-bromo-3-oxobutan-2-yl]carbamate
CID 146049642
tert-butyl N-(4-bromo-3-oxobutan-2-yl)carbamate
CID 112704269
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
tert-butyl N-(4-bromo-1,1,1-trifluoro-2-methyl-3-oxobutan-2-yl)carbamate
CID 104701574
tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
CID 153040099
(2R)-4-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87361724
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
(2R)-2-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57066489
tert-butyl N-[3-bromo-2-methyl-2-(2-methylpropoxy)propyl]carbamate
CID 114772777
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
tert-butyl N-(2,4-dimethyl-1-oxopentan-2-yl)carbamate
CID 84726178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate (CID 130802428) is tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate is CC(C)C(C)(CBr)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate?
The InChIKey is XCHCAPDAQKVTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-8(2)11(6,7-12)13-9(14)15-10(3,4)5/h8H,7H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate?
tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate has a molecular weight of 280.21 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate is sourced from PubChem (CID 130802428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).