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

C13H24N2O — CID 18919678

IUPAC8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCCN(CC)CCN1C2CCC1CC(=O)C2
InChIInChI=1S/C13H24N2O/c1-3-14(4-2)7-8-15-11-5-6-12(15)10-13(16)9-11/h11-12H,3-10H2,1-2H3
InChIKeySAOHIEKTMQAHAF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.52
Rot. Bonds5

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

8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 18919678) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID18919678
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCCN(CC)CCN1C2CCC1CC(=O)C2
InChIInChI=1S/C13H24N2O/c1-3-14(4-2)7-8-15-11-5-6-12(15)10-13(16)9-11/h11-12H,3-10H2,1-2H3
InChIKeySAOHIEKTMQAHAF-UHFFFAOYSA-N
XLogP1.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one (CID 18919678) is 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one is CCN(CC)CCN1C2CCC1CC(=O)C2.
What is the InChIKey of 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is SAOHIEKTMQAHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-14(4-2)7-8-15-11-5-6-12(15)10-13(16)9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 224.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 18919678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).