1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one

C13H20N2O2 — CID 116709569

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one
SMILESCOC(C(=O)c1cc(C)cnc1N)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-8-6-9(12(14)15-7-8)10(16)11(17-5)13(2,3)4/h6-7,11H,1-5H3,(H2,14,15)
InChIKeyBAEGKXHRNDASNF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.22
Rot. Bonds3

About 1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one

1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one (PubChem CID 116709569) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one
PubChem CID116709569
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one
SMILESCOC(C(=O)c1cc(C)cnc1N)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-8-6-9(12(14)15-7-8)10(16)11(17-5)13(2,3)4/h6-7,11H,1-5H3,(H2,14,15)
InChIKeyBAEGKXHRNDASNF-UHFFFAOYSA-N
XLogP2.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one
CID 116709606
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116574050
2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116709656
2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone
CID 130913857
3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
CID 116567110
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-2-methylbutan-1-one
CID 116611000
1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone
CID 116555449
4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116596708
2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone
CID 116591054
2-tert-butyl-5-methylpyridine-3-carboxylic acid
CID 83915652
(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone
CID 116583846

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one (CID 116709569) is 1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one is COC(C(=O)c1cc(C)cnc1N)C(C)(C)C.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one?
The InChIKey is BAEGKXHRNDASNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-6-9(12(14)15-7-8)10(16)11(17-5)13(2,3)4/h6-7,11H,1-5H3,(H2,14,15).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one?
1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one is sourced from PubChem (CID 116709569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).