8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one

C11H20N2O — CID 62740118

IUPAC8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCN(C)CCN1C2CCC1CC(=O)C2
InChIInChI=1S/C11H20N2O/c1-12(2)5-6-13-9-3-4-10(13)8-11(14)7-9/h9-10H,3-8H2,1-2H3
InChIKeyNESPFFHPYSURPA-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.74
Rot. Bonds3

About 8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one

8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62740118) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62740118
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCN(C)CCN1C2CCC1CC(=O)C2
InChIInChI=1S/C11H20N2O/c1-12(2)5-6-13-9-3-4-10(13)8-11(14)7-9/h9-10H,3-8H2,1-2H3
InChIKeyNESPFFHPYSURPA-UHFFFAOYSA-N
XLogP0.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one (CID 62740118) is 8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one is CN(C)CCN1C2CCC1CC(=O)C2.
What is the InChIKey of 8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is NESPFFHPYSURPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12(2)5-6-13-9-3-4-10(13)8-11(14)7-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 196.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62740118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).