4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one

C12H22N2O2 — CID 66370433

IUPAC4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
SMILESCC(C)(N)CCC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H22N2O2/c1-12(2,13)6-5-11(15)14-7-9-3-4-10(8-14)16-9/h9-10H,3-8,13H2,1-2H3
InChIKeyNHYZLGMDBHWQGF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.89
Rot. Bonds3

About 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one

4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one (PubChem CID 66370433) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
PubChem CID66370433
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
SMILESCC(C)(N)CCC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H22N2O2/c1-12(2,13)6-5-11(15)14-7-9-3-4-10(8-14)16-9/h9-10H,3-8,13H2,1-2H3
InChIKeyNHYZLGMDBHWQGF-UHFFFAOYSA-N
XLogP0.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-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 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one?
The IUPAC name of 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one (CID 66370433) is 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one.
What is the SMILES notation for 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one?
The canonical SMILES for 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one is CC(C)(N)CCC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one?
The InChIKey is NHYZLGMDBHWQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,13)6-5-11(15)14-7-9-3-4-10(8-14)16-9/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one?
4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one is sourced from PubChem (CID 66370433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).