2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one

C11H16N2O — CID 116575014

IUPAC2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one
SMILESCCC(CN)C(=O)c1ccc(C)nc1
InChIInChI=1S/C11H16N2O/c1-3-9(6-12)11(14)10-5-4-8(2)13-7-10/h4-5,7,9H,3,6,12H2,1-2H3
InChIKeyONHYVLBQXFJFDI-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.56
Rot. Bonds4

About 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one

2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one (PubChem CID 116575014) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one
PubChem CID116575014
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one
SMILESCCC(CN)C(=O)c1ccc(C)nc1
InChIInChI=1S/C11H16N2O/c1-3-9(6-12)11(14)10-5-4-8(2)13-7-10/h4-5,7,9H,3,6,12H2,1-2H3
InChIKeyONHYVLBQXFJFDI-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

2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116574417
2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116597825
2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
CID 112574268
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931
2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
CID 103455104
methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate
CID 104822729
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010
2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone
CID 103455679
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one (CID 116575014) is 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one is CCC(CN)C(=O)c1ccc(C)nc1.
What is the InChIKey of 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one?
The InChIKey is ONHYVLBQXFJFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-9(6-12)11(14)10-5-4-8(2)13-7-10/h4-5,7,9H,3,6,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one?
2-(aminomethyl)-1-(6-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 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116575014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).