2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide

C11H18F3N3O — CID 79797837

IUPAC2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NC1CN2CCC1CC2)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-10(15,11(12,13)14)9(18)16-8-6-17-4-2-7(8)3-5-17/h7-8H,2-6,15H2,1H3,(H,16,18)
InChIKeyAXPXPHZPEBRCEW-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.48
Rot. Bonds2

About 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79797837) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79797837
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NC1CN2CCC1CC2)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-10(15,11(12,13)14)9(18)16-8-6-17-4-2-7(8)3-5-17/h7-8H,2-6,15H2,1H3,(H,16,18)
InChIKeyAXPXPHZPEBRCEW-UHFFFAOYSA-N
XLogP0.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-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 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 79797837) is 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)NC1CN2CCC1CC2)C(F)(F)F.
What is the InChIKey of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is AXPXPHZPEBRCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-10(15,11(12,13)14)9(18)16-8-6-17-4-2-7(8)3-5-17/h7-8H,2-6,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 265.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79797837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).