2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

C11H20N2O2 — CID 135183248

IUPAC2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCCN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H20N2O2/c1-3-12(2)8-11(14)13-6-9-4-5-10(7-13)15-9/h9-10H,3-8H2,1-2H3
InChIKeyYLTNWSCNMOWGOQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.33
Rot. Bonds3

About 2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 135183248) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID135183248
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCCN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H20N2O2/c1-3-12(2)8-11(14)13-6-9-4-5-10(7-13)15-9/h9-10H,3-8H2,1-2H3
InChIKeyYLTNWSCNMOWGOQ-UHFFFAOYSA-N
XLogP0.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 135183248) is 2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is CCN(C)CC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is YLTNWSCNMOWGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-12(2)8-11(14)13-6-9-4-5-10(7-13)15-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 135183248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).