2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one

C14H24N2O2 — CID 82217760

IUPAC2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCCCCN(CC)Cc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C14H24N2O2/c1-5-7-8-16(6-2)10-12-14(18)13(17)9-11(3)15(12)4/h9,18H,5-8,10H2,1-4H3
InChIKeyXVSWVQAPUPFLNO-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.02
Rot. Bonds6

About 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one

2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one (PubChem CID 82217760) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
PubChem CID82217760
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCCCCN(CC)Cc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C14H24N2O2/c1-5-7-8-16(6-2)10-12-14(18)13(17)9-11(3)15(12)4/h9,18H,5-8,10H2,1-4H3
InChIKeyXVSWVQAPUPFLNO-UHFFFAOYSA-N
XLogP2.02
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one (CID 82217760) is 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one is CCCCN(CC)Cc1c(O)c(=O)cc(C)n1C.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
The InChIKey is XVSWVQAPUPFLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-7-8-16(6-2)10-12-14(18)13(17)9-11(3)15(12)4/h9,18H,5-8,10H2,1-4H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one has a molecular weight of 252.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 82217760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).