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

C13H24N2O — CID 22984886

IUPAC5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCCC(C)(C)N1CC2CC2CC(NC)C1=O
InChIInChI=1S/C13H24N2O/c1-5-13(2,3)15-8-10-6-9(10)7-11(14-4)12(15)16/h9-11,14H,5-8H2,1-4H3
InChIKeyLZWRODURHNCBAD-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds3

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

5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984886) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984886
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCCC(C)(C)N1CC2CC2CC(NC)C1=O
InChIInChI=1S/C13H24N2O/c1-5-13(2,3)15-8-10-6-9(10)7-11(14-4)12(15)16/h9-11,14H,5-8H2,1-4H3
InChIKeyLZWRODURHNCBAD-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21773704
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(4S)-4-amino-8,8-difluoro-2-methyl-2-azabicyclo[5.1.0]octan-3-one
CID 140764621
6-methyl-N-(2-oxoazepan-3-yl)octanamide
CID 21728677
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)azepane-2-carboxamide
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2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide
CID 53385001
(6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide
CID 162983206
2-(2-Oxo-5-propylazepan-1-yl)butanamide
CID 9813525
2-[6-(Cyclopropylmethyl)-2-oxoazepan-1-yl]butanamide
CID 9834836
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2-[5-(Cyclopropylmethyl)-2-oxoazepan-1-yl]butanamide
CID 9899748

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one (CID 22984886) is 5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one is CCC(C)(C)N1CC2CC2CC(NC)C1=O.
What is the InChIKey of 5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is LZWRODURHNCBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-13(2,3)15-8-10-6-9(10)7-11(14-4)12(15)16/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 224.35 g/mol, XLogP of 1.63, 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-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).