2-methylpropyl N-ethyl-N-methylcarbamate

C8H17NO2 — CID 59833241

IUPAC2-methylpropyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCC(C)C
InChIInChI=1S/C8H17NO2/c1-5-9(4)8(10)11-6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyJEEZBDJTOQTVPP-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.73
Rot. Bonds3

About 2-methylpropyl N-ethyl-N-methylcarbamate

2-methylpropyl N-ethyl-N-methylcarbamate (PubChem CID 59833241) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methylpropyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-ethyl-N-methylcarbamate
PubChem CID59833241
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-methylpropyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCC(C)C
InChIInChI=1S/C8H17NO2/c1-5-9(4)8(10)11-6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyJEEZBDJTOQTVPP-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-ethyl-N-methylcarbamate?
The IUPAC name of 2-methylpropyl N-ethyl-N-methylcarbamate (CID 59833241) is 2-methylpropyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for 2-methylpropyl N-ethyl-N-methylcarbamate?
The canonical SMILES for 2-methylpropyl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-ethyl-N-methylcarbamate?
The InChIKey is JEEZBDJTOQTVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-9(4)8(10)11-6-7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 2-methylpropyl N-ethyl-N-methylcarbamate?
2-methylpropyl N-ethyl-N-methylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 59833241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).