N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide

C12H22N2O — CID 5041627

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C12H22N2O/c1-12(2,3)11(15)13-10-8-14-6-4-9(10)5-7-14/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyJSACCGBDUCWKRF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds1

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide (PubChem CID 5041627) 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)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide
PubChem CID5041627
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C12H22N2O/c1-12(2,3)11(15)13-10-8-14-6-4-9(10)5-7-14/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyJSACCGBDUCWKRF-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide (CID 5041627) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide?
The InChIKey is JSACCGBDUCWKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)11(15)13-10-8-14-6-4-9(10)5-7-14/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 1.24, 1 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 5041627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).