3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one

C12H18N2O — CID 116566748

IUPAC3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one
SMILESCCNC(C)CC(=O)c1cncc(C)c1
InChIInChI=1S/C12H18N2O/c1-4-14-10(3)6-12(15)11-5-9(2)7-13-8-11/h5,7-8,10,14H,4,6H2,1-3H3
InChIKeyKJJZGLHSZYUIND-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.96
Rot. Bonds5

About 3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one

3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one (PubChem CID 116566748) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one
PubChem CID116566748
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one
SMILESCCNC(C)CC(=O)c1cncc(C)c1
InChIInChI=1S/C12H18N2O/c1-4-14-10(3)6-12(15)11-5-9(2)7-13-8-11/h5,7-8,10,14H,4,6H2,1-3H3
InChIKeyKJJZGLHSZYUIND-UHFFFAOYSA-N
XLogP1.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-1-(3-methylphenyl)butan-1-one
CID 116566722
3-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116606321
ethyl 3-(5-methyl-3-pyridinyl)-3-oxopropanoate
CID 142316844
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
CID 164641680
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one
CID 116614669
3-(ethylamino)-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116566853
1-(5-methyl-3-pyridinyl)-3-piperidin-3-ylbutan-1-one
CID 116594369
4-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116571374
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone
CID 115373986
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one (CID 116566748) is 3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one is CCNC(C)CC(=O)c1cncc(C)c1.
What is the InChIKey of 3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one?
The InChIKey is KJJZGLHSZYUIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-14-10(3)6-12(15)11-5-9(2)7-13-8-11/h5,7-8,10,14H,4,6H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one?
3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one has a molecular weight of 206.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116566748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).