3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one

C13H22N2O2 — CID 107073114

IUPAC3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one
SMILESCCCCOCCn1c(C)ccc(CN)c1=O
InChIInChI=1S/C13H22N2O2/c1-3-4-8-17-9-7-15-11(2)5-6-12(10-14)13(15)16/h5-6H,3-4,7-10,14H2,1-2H3
InChIKeyFSSZLCMOVQCYED-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.43
Rot. Bonds7

About 3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one

3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one (PubChem CID 107073114) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one
PubChem CID107073114
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one
SMILESCCCCOCCn1c(C)ccc(CN)c1=O
InChIInChI=1S/C13H22N2O2/c1-3-4-8-17-9-7-15-11(2)5-6-12(10-14)13(15)16/h5-6H,3-4,7-10,14H2,1-2H3
InChIKeyFSSZLCMOVQCYED-UHFFFAOYSA-N
XLogP1.43
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one (CID 107073114) is 3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one is CCCCOCCn1c(C)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one?
The InChIKey is FSSZLCMOVQCYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-8-17-9-7-15-11(2)5-6-12(10-14)13(15)16/h5-6H,3-4,7-10,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one?
3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 107073114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).