3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one

C12H22N2O2 — CID 63768013

IUPAC3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H22N2O2/c1-12(2,7-13)11(16)14-8-3-4-9(14)6-10(15)5-8/h8-10,15H,3-7,13H2,1-2H3
InChIKeySYGTXJRGTDTOSA-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.49
Rot. Bonds2

About 3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one

3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one (PubChem CID 63768013) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one
PubChem CID63768013
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H22N2O2/c1-12(2,7-13)11(16)14-8-3-4-9(14)6-10(15)5-8/h8-10,15H,3-7,13H2,1-2H3
InChIKeySYGTXJRGTDTOSA-UHFFFAOYSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one (CID 63768013) is 3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one is CC(C)(CN)C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one?
The InChIKey is SYGTXJRGTDTOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,7-13)11(16)14-8-3-4-9(14)6-10(15)5-8/h8-10,15H,3-7,13H2,1-2H3.
What are the key properties of 3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one?
3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 63768013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).