1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one

C12H18N2O — CID 79885395

IUPAC1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C(CN)C1CC1
InChIInChI=1S/C12H18N2O/c1-8-5-11(15)6-9(2)14(8)12(7-13)10-3-4-10/h5-6,10,12H,3-4,7,13H2,1-2H3
InChIKeyALTXJSAMBNDFSS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.37
Rot. Bonds3

About 1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one

1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one (PubChem CID 79885395) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one
PubChem CID79885395
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C(CN)C1CC1
InChIInChI=1S/C12H18N2O/c1-8-5-11(15)6-9(2)14(8)12(7-13)10-3-4-10/h5-6,10,12H,3-4,7,13H2,1-2H3
InChIKeyALTXJSAMBNDFSS-UHFFFAOYSA-N
XLogP1.37
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one (CID 79885395) is 1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1C(CN)C1CC1.
What is the InChIKey of 1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one?
The InChIKey is ALTXJSAMBNDFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-5-11(15)6-9(2)14(8)12(7-13)10-3-4-10/h5-6,10,12H,3-4,7,13H2,1-2H3.
What are the key properties of 1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one?
1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-cyclopropylethyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).