tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate

C13H20N2O2 — CID 143422700

IUPACtert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
SMILESCCc1ccc(CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H20N2O2/c1-5-11-7-6-10(8-14-11)9-15-12(16)17-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,16)
InChIKeyHOTWXRZHYZKDJI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.67
Rot. Bonds3

About tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate

tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate (PubChem CID 143422700) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
PubChem CID143422700
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
SMILESCCc1ccc(CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H20N2O2/c1-5-11-7-6-10(8-14-11)9-15-12(16)17-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,16)
InChIKeyHOTWXRZHYZKDJI-UHFFFAOYSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate
CID 159313712
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate
CID 174275722
tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546900
tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
CID 67390801
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
tert-butyl N-[(2-cyanopyrimidin-5-yl)methyl]carbamate
CID 22476025
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
tert-butyl N-[(6-bromo-3-pyridinyl)methyl]carbamate;oxane
CID 146014726
methanidyl-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]azanium
CID 87107169
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate (CID 143422700) is tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate is CCc1ccc(CNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate?
The InChIKey is HOTWXRZHYZKDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-11-7-6-10(8-14-11)9-15-12(16)17-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate?
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate is sourced from PubChem (CID 143422700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).