2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one

C12H22N2O — CID 119328025

IUPAC2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1C2CCCC1CC2
InChIInChI=1S/C12H22N2O/c1-8(2)11(13)12(15)14-9-4-3-5-10(14)7-6-9/h8-11H,3-7,13H2,1-2H3
InChIKeyJNWMRCSJVDYUJE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds2

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

2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one (PubChem CID 119328025) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
PubChem CID119328025
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1C2CCCC1CC2
InChIInChI=1S/C12H22N2O/c1-8(2)11(13)12(15)14-9-4-3-5-10(14)7-6-9/h8-11H,3-7,13H2,1-2H3
InChIKeyJNWMRCSJVDYUJE-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one (CID 119328025) is 2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one is CC(C)C(N)C(=O)N1C2CCCC1CC2.
What is the InChIKey of 2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one?
The InChIKey is JNWMRCSJVDYUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(2)11(13)12(15)14-9-4-3-5-10(14)7-6-9/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one?
2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one is sourced from PubChem (CID 119328025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).