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

C13H26N2O2 — CID 142482349

IUPACethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC.CCN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H20N2O2.C2H6/c1-3-12(2)8-11(14)13-6-9-4-5-10(7-13)15-9;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyBZQCDRJVIUQPBA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.35
Rot. Bonds3

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

ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 142482349) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Nameethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID142482349
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC.CCN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H20N2O2.C2H6/c1-3-12(2)8-11(14)13-6-9-4-5-10(7-13)15-9;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyBZQCDRJVIUQPBA-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 142482349) is ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is CC.CCN(C)CC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is BZQCDRJVIUQPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C2H6/c1-3-12(2)8-11(14)13-6-9-4-5-10(7-13)15-9;1-2/h9-10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 242.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 142482349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).