1-(2-aminobutyl)-2,6-dimethylpyridin-4-one

C11H18N2O — CID 79001845

IUPAC1-(2-aminobutyl)-2,6-dimethylpyridin-4-one
SMILESCCC(N)Cn1c(C)cc(=O)cc1C
InChIInChI=1S/C11H18N2O/c1-4-10(12)7-13-8(2)5-11(14)6-9(13)3/h5-6,10H,4,7,12H2,1-3H3
InChIKeyPBVLVKKEBILLKY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.20
Rot. Bonds3

About 1-(2-aminobutyl)-2,6-dimethylpyridin-4-one

1-(2-aminobutyl)-2,6-dimethylpyridin-4-one (PubChem CID 79001845) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-aminobutyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-2,6-dimethylpyridin-4-one
PubChem CID79001845
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2-aminobutyl)-2,6-dimethylpyridin-4-one
SMILESCCC(N)Cn1c(C)cc(=O)cc1C
InChIInChI=1S/C11H18N2O/c1-4-10(12)7-13-8(2)5-11(14)6-9(13)3/h5-6,10H,4,7,12H2,1-3H3
InChIKeyPBVLVKKEBILLKY-UHFFFAOYSA-N
XLogP1.20
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2-aminobutyl)-2,6-dimethylpyridin-4-one (CID 79001845) is 1-(2-aminobutyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2-aminobutyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2-aminobutyl)-2,6-dimethylpyridin-4-one is CCC(N)Cn1c(C)cc(=O)cc1C.
What is the InChIKey of 1-(2-aminobutyl)-2,6-dimethylpyridin-4-one?
The InChIKey is PBVLVKKEBILLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-10(12)7-13-8(2)5-11(14)6-9(13)3/h5-6,10H,4,7,12H2,1-3H3.
What are the key properties of 1-(2-aminobutyl)-2,6-dimethylpyridin-4-one?
1-(2-aminobutyl)-2,6-dimethylpyridin-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79001845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).