3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one

C11H16N2O — CID 116566436

IUPAC3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one
SMILESCNC(C)(C)C(=O)Cc1cccnc1
InChIInChI=1S/C11H16N2O/c1-11(2,12-3)10(14)7-9-5-4-6-13-8-9/h4-6,8,12H,7H2,1-3H3
InChIKeyVXWCWYVIANQPSH-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.19
Rot. Bonds4

About 3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one

3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one (PubChem CID 116566436) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one
PubChem CID116566436
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one
SMILESCNC(C)(C)C(=O)Cc1cccnc1
InChIInChI=1S/C11H16N2O/c1-11(2,12-3)10(14)7-9-5-4-6-13-8-9/h4-6,8,12H,7H2,1-3H3
InChIKeyVXWCWYVIANQPSH-UHFFFAOYSA-N
XLogP1.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one
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4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
CID 116565297
2-pyridin-3-ylacetyl chloride
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N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide
CID 107845575
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide
CID 66178919
(E)-1-pyridin-3-ylpent-3-en-2-one
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4-methyl-1-pyridin-3-ylpentan-2-one
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N-methyl-2-pyridin-3-ylacetohydrazide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one?
The IUPAC name of 3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one (CID 116566436) is 3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one?
The canonical SMILES for 3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one is CNC(C)(C)C(=O)Cc1cccnc1.
What is the InChIKey of 3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one?
The InChIKey is VXWCWYVIANQPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,12-3)10(14)7-9-5-4-6-13-8-9/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one?
3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 116566436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).