1-(4-aminobutyl)-5-methylpyridin-2-one

C10H16N2O — CID 82032115

IUPAC1-(4-aminobutyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CCCCN)c1
InChIInChI=1S/C10H16N2O/c1-9-4-5-10(13)12(8-9)7-3-2-6-11/h4-5,8H,2-3,6-7,11H2,1H3
InChIKeyWEDHLMYSWRWYTP-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.90
Rot. Bonds4

About 1-(4-aminobutyl)-5-methylpyridin-2-one

1-(4-aminobutyl)-5-methylpyridin-2-one (PubChem CID 82032115) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(4-aminobutyl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(4-aminobutyl)-5-methylpyridin-2-one
PubChem CID82032115
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(4-aminobutyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CCCCN)c1
InChIInChI=1S/C10H16N2O/c1-9-4-5-10(13)12(8-9)7-3-2-6-11/h4-5,8H,2-3,6-7,11H2,1H3
InChIKeyWEDHLMYSWRWYTP-UHFFFAOYSA-N
XLogP0.90
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one
CID 82117734
1-(4-iodobutyl)-5-methylpyridin-2-one
CID 171061446
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one
CID 82117733
1-(iodomethyl)-5-methylpyridin-2-one
CID 148677091
2-(4-aminobutyl)-6-methylisoquinolin-1-one
CID 82063079
1-(2-hydroxypropyl)-5-methylpyridin-2-one
CID 59276133
ethane;5-methyl-1-prop-2-ynylpyridin-2-one
CID 142303246
1-(cyclopentylmethyl)-5-methylpyridin-2-one
CID 167142146
5-amino-1-(5-hydroxypentyl)pyridin-2-one
CID 62228479
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748
5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one
CID 43260296

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-5-methylpyridin-2-one?
The IUPAC name of 1-(4-aminobutyl)-5-methylpyridin-2-one (CID 82032115) is 1-(4-aminobutyl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(4-aminobutyl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(4-aminobutyl)-5-methylpyridin-2-one is Cc1ccc(=O)n(CCCCN)c1.
What is the InChIKey of 1-(4-aminobutyl)-5-methylpyridin-2-one?
The InChIKey is WEDHLMYSWRWYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9-4-5-10(13)12(8-9)7-3-2-6-11/h4-5,8H,2-3,6-7,11H2,1H3.
What are the key properties of 1-(4-aminobutyl)-5-methylpyridin-2-one?
1-(4-aminobutyl)-5-methylpyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-5-methylpyridin-2-one is sourced from PubChem (CID 82032115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).