1-[6-(aminomethyl)-2-pyridinyl]propan-2-one

C9H12N2O — CID 118396926

IUPAC1-[6-(aminomethyl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cccc(CN)n1
InChIInChI=1S/C9H12N2O/c1-7(12)5-8-3-2-4-9(6-10)11-8/h2-4H,5-6,10H2,1H3
InChIKeyFBQGQNCXSQUVOB-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.67
Rot. Bonds3

About 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one

1-[6-(aminomethyl)-2-pyridinyl]propan-2-one (PubChem CID 118396926) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[6-(aminomethyl)-2-pyridinyl]propan-2-one
PubChem CID118396926
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-[6-(aminomethyl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cccc(CN)n1
InChIInChI=1S/C9H12N2O/c1-7(12)5-8-3-2-4-9(6-10)11-8/h2-4H,5-6,10H2,1H3
InChIKeyFBQGQNCXSQUVOB-UHFFFAOYSA-N
XLogP0.67
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one (CID 118396926) is 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one is CC(=O)Cc1cccc(CN)n1.
What is the InChIKey of 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one?
The InChIKey is FBQGQNCXSQUVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(12)5-8-3-2-4-9(6-10)11-8/h2-4H,5-6,10H2,1H3.
What are the key properties of 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one?
1-[6-(aminomethyl)-2-pyridinyl]propan-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-2-pyridinyl]propan-2-one is sourced from PubChem (CID 118396926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).