tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate

C12H25NO2 — CID 59686952

IUPACtert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
SMILESCC(CC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(8-11(2,3)4)13-10(14)15-12(5,6)7/h9H,8H2,1-7H3,(H,13,14)
InChIKeyIKUBRBJLKRGJFD-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.34
Rot. Bonds2

About tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate

tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate (PubChem CID 59686952) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
PubChem CID59686952
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
SMILESCC(CC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(8-11(2,3)4)13-10(14)15-12(5,6)7/h9H,8H2,1-7H3,(H,13,14)
InChIKeyIKUBRBJLKRGJFD-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 7021114
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate
CID 58618391
tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate
CID 90394148
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
[(2S)-4,4-dimethylpentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146590290
propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 22406400
tert-butyl N-[(2R)-3,4-dideuterio-4-sulfanylbutan-2-yl]carbamate
CID 58618386

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate (CID 59686952) is tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate is CC(CC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate?
The InChIKey is IKUBRBJLKRGJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(8-11(2,3)4)13-10(14)15-12(5,6)7/h9H,8H2,1-7H3,(H,13,14).
What are the key properties of tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate?
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate is sourced from PubChem (CID 59686952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).