8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one

C13H24N2O2 — CID 62845249

IUPAC8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCOCCN(C)CCN1C2CCC1CC(=O)C2
InChIInChI=1S/C13H24N2O2/c1-14(7-8-17-2)5-6-15-11-3-4-12(15)10-13(16)9-11/h11-12H,3-10H2,1-2H3
InChIKeyXPVFHFOWKHYXCK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.76
Rot. Bonds6

About 8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one

8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62845249) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62845249
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCOCCN(C)CCN1C2CCC1CC(=O)C2
InChIInChI=1S/C13H24N2O2/c1-14(7-8-17-2)5-6-15-11-3-4-12(15)10-13(16)9-11/h11-12H,3-10H2,1-2H3
InChIKeyXPVFHFOWKHYXCK-UHFFFAOYSA-N
XLogP0.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one (CID 62845249) is 8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one is COCCN(C)CCN1C2CCC1CC(=O)C2.
What is the InChIKey of 8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is XPVFHFOWKHYXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14(7-8-17-2)5-6-15-11-3-4-12(15)10-13(16)9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 240.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62845249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).