N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide

C12H22N2O — CID 4262077

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C12H22N2O/c1-9(2)7-12(15)13-11-8-14-5-3-10(11)4-6-14/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyOHKZHGYNOMFLDI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide (PubChem CID 4262077) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide
PubChem CID4262077
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C12H22N2O/c1-9(2)7-12(15)13-11-8-14-5-3-10(11)4-6-14/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyOHKZHGYNOMFLDI-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide 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-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide (CID 4262077) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide is CC(C)CC(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide?
The InChIKey is OHKZHGYNOMFLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)7-12(15)13-11-8-14-5-3-10(11)4-6-14/h9-11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide has a molecular weight of 210.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide is sourced from PubChem (CID 4262077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).