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

C12H18N2O — CID 116565297

IUPAC4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
SMILESCCNCC(C)C(=O)Cc1cccnc1
InChIInChI=1S/C12H18N2O/c1-3-13-8-10(2)12(15)7-11-5-4-6-14-9-11/h4-6,9-10,13H,3,7-8H2,1-2H3
InChIKeyXYZFGLQNQAZDKT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.44
Rot. Bonds6

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

4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one (PubChem CID 116565297) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
PubChem CID116565297
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
SMILESCCNCC(C)C(=O)Cc1cccnc1
InChIInChI=1S/C12H18N2O/c1-3-13-8-10(2)12(15)7-11-5-4-6-14-9-11/h4-6,9-10,13H,3,7-8H2,1-2H3
InChIKeyXYZFGLQNQAZDKT-UHFFFAOYSA-N
XLogP1.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404636
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62851804
methyl (2S)-2-methyl-3-(pyridin-3-ylmethylamino)propanoate
CID 93035167
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one
CID 116573963
3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one
CID 116566436
3-methyl-1-(pyridin-3-ylmethylamino)butan-2-one;molecular hydrogen
CID 143466705
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one
CID 71154587
CID 66868100
CID 66868100
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one?
The IUPAC name of 4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one (CID 116565297) is 4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one?
The canonical SMILES for 4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one is CCNCC(C)C(=O)Cc1cccnc1.
What is the InChIKey of 4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one?
The InChIKey is XYZFGLQNQAZDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-13-8-10(2)12(15)7-11-5-4-6-14-9-11/h4-6,9-10,13H,3,7-8H2,1-2H3.
What are the key properties of 4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one?
4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 116565297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).