5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one

C12H22N2O — CID 22984893

IUPAC5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC(C)C)C1=O
InChIInChI=1S/C12H22N2O/c1-8(2)6-14-7-10-4-9(10)5-11(13-3)12(14)15/h8-11,13H,4-7H2,1-3H3
InChIKeyFJWBVCACECEASF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.10
Rot. Bonds3

About 5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one

5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984893) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984893
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC(C)C)C1=O
InChIInChI=1S/C12H22N2O/c1-8(2)6-14-7-10-4-9(10)5-11(13-3)12(14)15/h8-11,13H,4-7H2,1-3H3
InChIKeyFJWBVCACECEASF-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one (CID 22984893) is 5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC(C)C)C1=O.
What is the InChIKey of 5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is FJWBVCACECEASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(2)6-14-7-10-4-9(10)5-11(13-3)12(14)15/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 210.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).