2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one

C13H20N2O — CID 116603939

IUPAC2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one
SMILESCCC(CC)(CN)C(=O)c1cnccc1C
InChIInChI=1S/C13H20N2O/c1-4-13(5-2,9-14)12(16)11-8-15-7-6-10(11)3/h6-8H,4-5,9,14H2,1-3H3
InChIKeyVJEIFRYWVKKQPZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.34
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one

2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one (PubChem CID 116603939) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one
PubChem CID116603939
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one
SMILESCCC(CC)(CN)C(=O)c1cnccc1C
InChIInChI=1S/C13H20N2O/c1-4-13(5-2,9-14)12(16)11-8-15-7-6-10(11)3/h6-8H,4-5,9,14H2,1-3H3
InChIKeyVJEIFRYWVKKQPZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 103446599
2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069628
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 130562265
2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one
CID 116603866
2-methoxy-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 79196818
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-2-methylbutan-1-one
CID 116610776
N-(2-fluoroethyl)-4-methylpyridine-3-carboxamide
CID 89026003
4-methylpyridine-3-carbonyl chloride
CID 22386188
2-(aminomethyl)-2-ethyl-1-quinolin-8-ylbutan-1-one
CID 116603879
2-(aminomethyl)-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116574061
N-(2-amino-2-methylpropyl)-4-methylpyridine-3-carboxamide
CID 110833937

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one (CID 116603939) is 2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one is CCC(CC)(CN)C(=O)c1cnccc1C.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one?
The InChIKey is VJEIFRYWVKKQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-13(5-2,9-14)12(16)11-8-15-7-6-10(11)3/h6-8H,4-5,9,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one?
2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one has a molecular weight of 220.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116603939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).