3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one

C12H20N2O — CID 82466726

IUPAC3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one
SMILESCCC(C)n1c(C(C)C)ccc(N)c1=O
InChIInChI=1S/C12H20N2O/c1-5-9(4)14-11(8(2)3)7-6-10(13)12(14)15/h6-9H,5,13H2,1-4H3
InChIKeyPSZVFMULXGZYRC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.52
Rot. Bonds3

About 3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one

3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one (PubChem CID 82466726) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one
PubChem CID82466726
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one
SMILESCCC(C)n1c(C(C)C)ccc(N)c1=O
InChIInChI=1S/C12H20N2O/c1-5-9(4)14-11(8(2)3)7-6-10(13)12(14)15/h6-9H,5,13H2,1-4H3
InChIKeyPSZVFMULXGZYRC-UHFFFAOYSA-N
XLogP2.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one (CID 82466726) is 3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one is CCC(C)n1c(C(C)C)ccc(N)c1=O.
What is the InChIKey of 3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one?
The InChIKey is PSZVFMULXGZYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-9(4)14-11(8(2)3)7-6-10(13)12(14)15/h6-9H,5,13H2,1-4H3.
What are the key properties of 3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one?
3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butan-2-yl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82466726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).