1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one

C13H20N2O — CID 79884959

IUPAC1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1(CN)CCCC1
InChIInChI=1S/C13H20N2O/c1-10-7-12(16)8-11(2)15(10)13(9-14)5-3-4-6-13/h7-8H,3-6,9,14H2,1-2H3
InChIKeyXXMNGVYZVBLBOH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.69
Rot. Bonds2

About 1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one

1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one (PubChem CID 79884959) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one
PubChem CID79884959
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1(CN)CCCC1
InChIInChI=1S/C13H20N2O/c1-10-7-12(16)8-11(2)15(10)13(9-14)5-3-4-6-13/h7-8H,3-6,9,14H2,1-2H3
InChIKeyXXMNGVYZVBLBOH-UHFFFAOYSA-N
XLogP1.69
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one (CID 79884959) is 1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1C1(CN)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one?
The InChIKey is XXMNGVYZVBLBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-7-12(16)8-11(2)15(10)13(9-14)5-3-4-6-13/h7-8H,3-6,9,14H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one?
1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one has a molecular weight of 220.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79884959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).