3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one

C11H16N2O — CID 116586998

IUPAC3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one
SMILESCNCC(C)C(=O)Cc1ccccn1
InChIInChI=1S/C11H16N2O/c1-9(8-12-2)11(14)7-10-5-3-4-6-13-10/h3-6,9,12H,7-8H2,1-2H3
InChIKeyADBDHCHDTDMETB-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.05
Rot. Bonds5

About 3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one

3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one (PubChem CID 116586998) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Name3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one
PubChem CID116586998
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one
SMILESCNCC(C)C(=O)Cc1ccccn1
InChIInChI=1S/C11H16N2O/c1-9(8-12-2)11(14)7-10-5-3-4-6-13-10/h3-6,9,12H,7-8H2,1-2H3
InChIKeyADBDHCHDTDMETB-UHFFFAOYSA-N
XLogP1.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
CID 67240305
(3S)-3-hydroxy-3,4-dimethyl-1-pyridin-2-ylpentan-2-one
CID 125490825
3-methyl-3-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116566539
N,2-dimethyl-3-(methylamino)-N-pyridin-2-ylpropanamide
CID 79196155
N-(3-hydroxy-2-methylpropyl)-2-pyridin-2-ylacetamide
CID 65037494
4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one
CID 103311490
5-(methylamino)-1-pyridin-2-ylpentan-2-one
CID 116555736
N-[2,2-dimethyl-3-(methylamino)propyl]-2-pyridin-2-ylacetamide
CID 115271190
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
N-(4-hydroxybutan-2-yl)-2-pyridin-2-ylacetamide
CID 83188668
1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116587001

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one?
The IUPAC name of 3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one (CID 116586998) is 3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one.
What is the SMILES notation for 3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one?
The canonical SMILES for 3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one is CNCC(C)C(=O)Cc1ccccn1.
What is the InChIKey of 3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one?
The InChIKey is ADBDHCHDTDMETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(8-12-2)11(14)7-10-5-3-4-6-13-10/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one?
3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 116586998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).