4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one

C11H16N2O — CID 116596719

IUPAC4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
SMILESCc1ccncc1C(=O)CC(C)CN
InChIInChI=1S/C11H16N2O/c1-8(6-12)5-11(14)10-7-13-4-3-9(10)2/h3-4,7-8H,5-6,12H2,1-2H3
InChIKeyMUSUMTJGTRBNMK-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.56
Rot. Bonds4

About 4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one

4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one (PubChem CID 116596719) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
PubChem CID116596719
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
SMILESCc1ccncc1C(=O)CC(C)CN
InChIInChI=1S/C11H16N2O/c1-8(6-12)5-11(14)10-7-13-4-3-9(10)2/h3-4,7-8H,5-6,12H2,1-2H3
InChIKeyMUSUMTJGTRBNMK-UHFFFAOYSA-N
XLogP1.56
TPSA55.98 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116566853
2-(aminomethyl)-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116574061
4-amino-1-isoquinolin-4-yl-3-methylbutan-1-one
CID 116596552
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one
CID 106677539
4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one
CID 116596516
1-(4-methyl-3-pyridinyl)-3-piperidin-3-ylbutan-1-one
CID 116594457
4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116596708
1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114877690
4-methylpyridine-3-carbonyl chloride
CID 22386188
4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one
CID 116596540

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one (CID 116596719) is 4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one is Cc1ccncc1C(=O)CC(C)CN.
What is the InChIKey of 4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one?
The InChIKey is MUSUMTJGTRBNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(6-12)5-11(14)10-7-13-4-3-9(10)2/h3-4,7-8H,5-6,12H2,1-2H3.
What are the key properties of 4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one?
4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116596719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).