2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one

C13H20N2O — CID 116597825

IUPAC2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one
SMILESCc1ccc(C(=O)C(CN)CC(C)C)cn1
InChIInChI=1S/C13H20N2O/c1-9(2)6-12(7-14)13(16)11-5-4-10(3)15-8-11/h4-5,8-9,12H,6-7,14H2,1-3H3
InChIKeyXXGQREJSMQYWEW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.19
Rot. Bonds5

About 2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one

2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one (PubChem CID 116597825) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one
PubChem CID116597825
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one
SMILESCc1ccc(C(=O)C(CN)CC(C)C)cn1
InChIInChI=1S/C13H20N2O/c1-9(2)6-12(7-14)13(16)11-5-4-10(3)15-8-11/h4-5,8-9,12H,6-7,14H2,1-3H3
InChIKeyXXGQREJSMQYWEW-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one
CID 116575014
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116574417
2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
CID 103455104
2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
CID 112574268
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-one
CID 116597896
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate
CID 104822729
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 42936092
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
2-methyl-4-(6-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 104823190
2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone
CID 103455679

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one (CID 116597825) is 2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one is Cc1ccc(C(=O)C(CN)CC(C)C)cn1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one?
The InChIKey is XXGQREJSMQYWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)6-12(7-14)13(16)11-5-4-10(3)15-8-11/h4-5,8-9,12H,6-7,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one?
2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one has a molecular weight of 220.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one is sourced from PubChem (CID 116597825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).