tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate

C13H21N3O2 — CID 54440042

IUPACtert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate
SMILESCCN(C)c1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-6-16(5)11-9-7-8-10(14-11)15-12(17)18-13(2,3)4/h7-9H,6H2,1-5H3,(H,14,15,17)
InChIKeyWNLMVMJGEMPPFE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate

tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate (PubChem CID 54440042) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate
PubChem CID54440042
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate
SMILESCCN(C)c1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-6-16(5)11-9-7-8-10(14-11)15-12(17)18-13(2,3)4/h7-9H,6H2,1-5H3,(H,14,15,17)
InChIKeyWNLMVMJGEMPPFE-UHFFFAOYSA-N
XLogP2.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate (CID 54440042) is tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate is CCN(C)c1cccc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate?
The InChIKey is WNLMVMJGEMPPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-6-16(5)11-9-7-8-10(14-11)15-12(17)18-13(2,3)4/h7-9H,6H2,1-5H3,(H,14,15,17).
What are the key properties of tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate?
tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate is sourced from PubChem (CID 54440042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).