3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one

C13H22N2O — CID 82466742

IUPAC3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one
SMILESCCC(C)n1c(C(C)(C)C)ccc(N)c1=O
InChIInChI=1S/C13H22N2O/c1-6-9(2)15-11(13(3,4)5)8-7-10(14)12(15)16/h7-9H,6,14H2,1-5H3
InChIKeyPFCFNMZPOJRYCN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.70
Rot. Bonds2

About 3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one

3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one (PubChem CID 82466742) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one
PubChem CID82466742
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one
SMILESCCC(C)n1c(C(C)(C)C)ccc(N)c1=O
InChIInChI=1S/C13H22N2O/c1-6-9(2)15-11(13(3,4)5)8-7-10(14)12(15)16/h7-9H,6,14H2,1-5H3
InChIKeyPFCFNMZPOJRYCN-UHFFFAOYSA-N
XLogP2.70
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.70
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-tert-butylpyridin-2-one?
The IUPAC name of 3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one (CID 82466742) is 3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one.
What is the SMILES notation for 3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one?
The canonical SMILES for 3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one is CCC(C)n1c(C(C)(C)C)ccc(N)c1=O.
What is the InChIKey of 3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one?
The InChIKey is PFCFNMZPOJRYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-6-9(2)15-11(13(3,4)5)8-7-10(14)12(15)16/h7-9H,6,14H2,1-5H3.
What are the key properties of 3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one?
3-amino-1-butan-2-yl-6-tert-butylpyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.70, 2 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-tert-butylpyridin-2-one is sourced from PubChem (CID 82466742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).