1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one

C14H22N2O — CID 63914629

IUPAC1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one
SMILESCCCNC(Cn1cccc(C)c1=O)C1CC1
InChIInChI=1S/C14H22N2O/c1-3-8-15-13(12-6-7-12)10-16-9-4-5-11(2)14(16)17/h4-5,9,12-13,15H,3,6-8,10H2,1-2H3
InChIKeyJTFPCLLIZASCNE-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.93
Rot. Bonds6

About 1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one

1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one (PubChem CID 63914629) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one
PubChem CID63914629
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one
SMILESCCCNC(Cn1cccc(C)c1=O)C1CC1
InChIInChI=1S/C14H22N2O/c1-3-8-15-13(12-6-7-12)10-16-9-4-5-11(2)14(16)17/h4-5,9,12-13,15H,3,6-8,10H2,1-2H3
InChIKeyJTFPCLLIZASCNE-UHFFFAOYSA-N
XLogP1.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one (CID 63914629) is 1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one is CCCNC(Cn1cccc(C)c1=O)C1CC1.
What is the InChIKey of 1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one?
The InChIKey is JTFPCLLIZASCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-8-15-13(12-6-7-12)10-16-9-4-5-11(2)14(16)17/h4-5,9,12-13,15H,3,6-8,10H2,1-2H3.
What are the key properties of 1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one?
1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one has a molecular weight of 234.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63914629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).