tert-butyl N-(2-ethyl-2-methylbutyl)carbamate

C12H25NO2 — CID 90843997

IUPACtert-butyl N-(2-ethyl-2-methylbutyl)carbamate
SMILESCCC(C)(CC)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-12(6,8-2)9-13-10(14)15-11(3,4)5/h7-9H2,1-6H3,(H,13,14)
InChIKeyUJHHIBUNNCQISJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.34
Rot. Bonds4

About tert-butyl N-(2-ethyl-2-methylbutyl)carbamate

tert-butyl N-(2-ethyl-2-methylbutyl)carbamate (PubChem CID 90843997) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl N-(2-ethyl-2-methylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethyl-2-methylbutyl)carbamate
PubChem CID90843997
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl N-(2-ethyl-2-methylbutyl)carbamate
SMILESCCC(C)(CC)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-12(6,8-2)9-13-10(14)15-11(3,4)5/h7-9H2,1-6H3,(H,13,14)
InChIKeyUJHHIBUNNCQISJ-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[2-(aminomethyl)-2-methylpentyl]carbamate
CID 84726317
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 115654968
tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate
CID 130901810
tert-butyl N-(bromomethyl)carbamate
CID 20614913
2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106487684
tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
CID 135363819

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethyl-2-methylbutyl)carbamate?
The IUPAC name of tert-butyl N-(2-ethyl-2-methylbutyl)carbamate (CID 90843997) is tert-butyl N-(2-ethyl-2-methylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethyl-2-methylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethyl-2-methylbutyl)carbamate is CCC(C)(CC)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-ethyl-2-methylbutyl)carbamate?
The InChIKey is UJHHIBUNNCQISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-12(6,8-2)9-13-10(14)15-11(3,4)5/h7-9H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl N-(2-ethyl-2-methylbutyl)carbamate?
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethyl-2-methylbutyl)carbamate is sourced from PubChem (CID 90843997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).