tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate

C13H20N2O2 — CID 118168082

IUPACtert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
SMILESCCc1ncccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-5-11-10(7-6-8-14-11)9-15-12(16)17-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,16)
InChIKeyVUXWENXKQJUNQV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.67
Rot. Bonds3

About tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate

tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate (PubChem CID 118168082) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
PubChem CID118168082
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
SMILESCCc1ncccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-5-11-10(7-6-8-14-11)9-15-12(16)17-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,16)
InChIKeyVUXWENXKQJUNQV-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-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
CID 12017234
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
CID 106707645
tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate
CID 58324958
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
2,3-diethylpyridine
CID 14747123
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
1-chloroethyl N-methyl-N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]carbamate
CID 153297641
tert-butyl N-[(2-chloro-3-hydroxyphenyl)methyl]carbamate
CID 135396493
tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate
CID 115644655
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate (CID 118168082) is tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate is CCc1ncccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate?
The InChIKey is VUXWENXKQJUNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-11-10(7-6-8-14-11)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-[(2-ethyl-3-pyridinyl)methyl]carbamate?
tert-butyl N-[(2-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-[(2-ethyl-3-pyridinyl)methyl]carbamate is sourced from PubChem (CID 118168082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).