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

C12H25NO2 — CID 79470192

IUPACtert-butyl N-ethyl-N-(2-methylbutyl)carbamate
SMILESCCC(C)CN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-10(3)9-13(8-2)11(14)15-12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyLJOQIYXXIWQJJT-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.29
Rot. Bonds4

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

tert-butyl N-ethyl-N-(2-methylbutyl)carbamate (PubChem CID 79470192) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(2-methylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(2-methylbutyl)carbamate
PubChem CID79470192
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl N-ethyl-N-(2-methylbutyl)carbamate
SMILESCCC(C)CN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-10(3)9-13(8-2)11(14)15-12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyLJOQIYXXIWQJJT-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206
tert-butyl N-(4-chloro-2-methyl-3-oxobutyl)-N-ethylcarbamate
CID 104701266
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
CID 89169679
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
CID 142256576
tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate
CID 140978282
2-bromo-N-ethyl-2-methyl-N-(2-methylbutyl)propanamide
CID 114328887
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(2-methylbutyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(2-methylbutyl)carbamate (CID 79470192) is tert-butyl N-ethyl-N-(2-methylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(2-methylbutyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(2-methylbutyl)carbamate is CCC(C)CN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(2-methylbutyl)carbamate?
The InChIKey is LJOQIYXXIWQJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-10(3)9-13(8-2)11(14)15-12(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-(2-methylbutyl)carbamate?
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(2-methylbutyl)carbamate is sourced from PubChem (CID 79470192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).