1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one

C14H22N2O — CID 20605478

IUPAC1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn(CCNC2CCC2)c1=O
InChIInChI=1S/C14H22N2O/c1-11(2)13-7-4-9-16(14(13)17)10-8-15-12-5-3-6-12/h4,7,9,11-12,15H,3,5-6,8,10H2,1-2H3
InChIKeyUFHSZTCFYYRVOE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.11
Rot. Bonds5

About 1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one

1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one (PubChem CID 20605478) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one
PubChem CID20605478
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn(CCNC2CCC2)c1=O
InChIInChI=1S/C14H22N2O/c1-11(2)13-7-4-9-16(14(13)17)10-8-15-12-5-3-6-12/h4,7,9,11-12,15H,3,5-6,8,10H2,1-2H3
InChIKeyUFHSZTCFYYRVOE-UHFFFAOYSA-N
XLogP2.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one (CID 20605478) is 1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one is CC(C)c1cccn(CCNC2CCC2)c1=O.
What is the InChIKey of 1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one?
The InChIKey is UFHSZTCFYYRVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)13-7-4-9-16(14(13)17)10-8-15-12-5-3-6-12/h4,7,9,11-12,15H,3,5-6,8,10H2,1-2H3.
What are the key properties of 1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one?
1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 20605478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).