tert-butyl N-methylcarbamate;ethane

C10H25NO2 — CID 142957488

IUPACtert-butyl N-methylcarbamate;ethane
SMILESCC.CC.CNC(=O)OC(C)(C)C
InChIInChI=1S/C6H13NO2.2C2H6/c1-6(2,3)9-5(8)7-4;2*1-2/h1-4H3,(H,7,8);2*1-2H3
InChIKeyKCKDUSBKAYIYEB-UHFFFAOYSA-N
MW191.31 g/mol
LogP3.19
Rot. Bonds

About tert-butyl N-methylcarbamate;ethane

tert-butyl N-methylcarbamate;ethane (PubChem CID 142957488) has the molecular formula C10H25NO2 and a molecular weight of 191.31 g/mol. Its IUPAC name is tert-butyl N-methylcarbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-methylcarbamate;ethane
PubChem CID142957488
Molecular FormulaC10H25NO2
Molecular Weight191.31 g/mol
Exact Mass191.19
IUPAC Nametert-butyl N-methylcarbamate;ethane
SMILESCC.CC.CNC(=O)OC(C)(C)C
InChIInChI=1S/C6H13NO2.2C2H6/c1-6(2,3)9-5(8)7-4;2*1-2/h1-4H3,(H,7,8);2*1-2H3
InChIKeyKCKDUSBKAYIYEB-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;bis(methyl N-methylcarbamate)
CID 91355167
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-bromocarbamate
CID 19029934
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
tert-butyl N-methylcarbamate;1-pyrrolidin-1-ylbut-2-yn-1-one
CID 178120124
tert-butyl acetate
CID 159704758
methane;bis(methyl N-methylcarbamate)
CID 159560145
tert-butyl N-(2-bromoethyl)carbamate;methane
CID 158621054
tert-butyl N-(2-bromoacetyl)carbamate
CID 46224013
tert-butyl N-[1-bromo-1-(methylamino)ethyl]carbamate
CID 163506370
tert-butyl N-(bromoamino)carbamate
CID 91402746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methylcarbamate;ethane?
The IUPAC name of tert-butyl N-methylcarbamate;ethane (CID 142957488) is tert-butyl N-methylcarbamate;ethane.
What is the SMILES notation for tert-butyl N-methylcarbamate;ethane?
The canonical SMILES for tert-butyl N-methylcarbamate;ethane is CC.CC.CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methylcarbamate;ethane?
The InChIKey is KCKDUSBKAYIYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.2C2H6/c1-6(2,3)9-5(8)7-4;2*1-2/h1-4H3,(H,7,8);2*1-2H3.
What are the key properties of tert-butyl N-methylcarbamate;ethane?
tert-butyl N-methylcarbamate;ethane has a molecular weight of 191.31 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methylcarbamate;ethane is sourced from PubChem (CID 142957488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).