2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one

C10H16N2O2 — CID 51714213

IUPAC2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one
SMILESCC(C)COc1c[nH]c(CN)cc1=O
InChIInChI=1S/C10H16N2O2/c1-7(2)6-14-10-5-12-8(4-11)3-9(10)13/h3,5,7H,4,6,11H2,1-2H3,(H,12,13)
InChIKeyGMHYKRZUYWXHQX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.87
Rot. Bonds4

About 2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one

2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one (PubChem CID 51714213) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one
PubChem CID51714213
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one
SMILESCC(C)COc1c[nH]c(CN)cc1=O
InChIInChI=1S/C10H16N2O2/c1-7(2)6-14-10-5-12-8(4-11)3-9(10)13/h3,5,7H,4,6,11H2,1-2H3,(H,12,13)
InChIKeyGMHYKRZUYWXHQX-UHFFFAOYSA-N
XLogP0.87
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one (CID 51714213) is 2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one is CC(C)COc1c[nH]c(CN)cc1=O.
What is the InChIKey of 2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one?
The InChIKey is GMHYKRZUYWXHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)6-14-10-5-12-8(4-11)3-9(10)13/h3,5,7H,4,6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one?
2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one is sourced from PubChem (CID 51714213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).