tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate

C13H20N2O2 — CID 58695834

IUPACtert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
SMILESCCc1cccc(N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H20N2O2/c1-6-10-8-7-9-11(14-10)15(5)12(16)17-13(2,3)4/h7-9H,6H2,1-5H3
InChIKeyDCGCVOFQAGXVEN-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.02
Rot. Bonds2

About tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate

tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate (PubChem CID 58695834) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
PubChem CID58695834
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
SMILESCCc1cccc(N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H20N2O2/c1-6-10-8-7-9-11(14-10)15(5)12(16)17-13(2,3)4/h7-9H,6H2,1-5H3
InChIKeyDCGCVOFQAGXVEN-UHFFFAOYSA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate (CID 58695834) is tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate is CCc1cccc(N(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate?
The InChIKey is DCGCVOFQAGXVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-6-10-8-7-9-11(14-10)15(5)12(16)17-13(2,3)4/h7-9H,6H2,1-5H3.
What are the key properties of tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate?
tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate has a molecular weight of 236.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 58695834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).