N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide

C11H20N2O — CID 952722

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CN2CCC1CC2
InChIInChI=1S/C11H20N2O/c1-8(2)11(14)12-10-7-13-5-3-9(10)4-6-13/h8-10H,3-7H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyWTHJJQZZOXFMQL-JTQLQIEISA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide (PubChem CID 952722) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide
PubChem CID952722
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CN2CCC1CC2
InChIInChI=1S/C11H20N2O/c1-8(2)11(14)12-10-7-13-5-3-9(10)4-6-13/h8-10H,3-7H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyWTHJJQZZOXFMQL-JTQLQIEISA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide 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 N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide (CID 952722) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H]1CN2CCC1CC2.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide?
The InChIKey is WTHJJQZZOXFMQL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)11(14)12-10-7-13-5-3-9(10)4-6-13/h8-10H,3-7H2,1-2H3,(H,12,14)/t10-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide is sourced from PubChem (CID 952722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).