1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone

C9H12N2O — CID 123265247

IUPAC1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CN)c(C)n1
InChIInChI=1S/C9H12N2O/c1-6-8(5-10)3-4-9(11-6)7(2)12/h3-4H,5,10H2,1-2H3
InChIKeyQGRAPTGZVOBHQB-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.05
Rot. Bonds2

About 1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone

1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone (PubChem CID 123265247) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone
PubChem CID123265247
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CN)c(C)n1
InChIInChI=1S/C9H12N2O/c1-6-8(5-10)3-4-9(11-6)7(2)12/h3-4H,5,10H2,1-2H3
InChIKeyQGRAPTGZVOBHQB-UHFFFAOYSA-N
XLogP1.05
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone (CID 123265247) is 1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone is CC(=O)c1ccc(CN)c(C)n1.
What is the InChIKey of 1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone?
The InChIKey is QGRAPTGZVOBHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-8(5-10)3-4-9(11-6)7(2)12/h3-4H,5,10H2,1-2H3.
What are the key properties of 1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone?
1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone has a molecular weight of 164.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone is sourced from PubChem (CID 123265247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).