1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one

C13H22N2O — CID 79884851

IUPAC1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one
SMILESCCC(CC)(CN)n1c(C)cc(=O)cc1C
InChIInChI=1S/C13H22N2O/c1-5-13(6-2,9-14)15-10(3)7-12(16)8-11(15)4/h7-8H,5-6,9,14H2,1-4H3
InChIKeyCTUZWIDDOZXADK-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.94
Rot. Bonds4

About 1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one

1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one (PubChem CID 79884851) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one
PubChem CID79884851
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one
SMILESCCC(CC)(CN)n1c(C)cc(=O)cc1C
InChIInChI=1S/C13H22N2O/c1-5-13(6-2,9-14)15-10(3)7-12(16)8-11(15)4/h7-8H,5-6,9,14H2,1-4H3
InChIKeyCTUZWIDDOZXADK-UHFFFAOYSA-N
XLogP1.94
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one (CID 79884851) is 1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one is CCC(CC)(CN)n1c(C)cc(=O)cc1C.
What is the InChIKey of 1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one?
The InChIKey is CTUZWIDDOZXADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-13(6-2,9-14)15-10(3)7-12(16)8-11(15)4/h7-8H,5-6,9,14H2,1-4H3.
What are the key properties of 1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one?
1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one has a molecular weight of 222.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pentan-3-yl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79884851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).