1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one

C14H23N3O — CID 105416898

IUPAC1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one
SMILESCN(C)C1(CNCCn2ccccc2=O)CCC1
InChIInChI=1S/C14H23N3O/c1-16(2)14(7-5-8-14)12-15-9-11-17-10-4-3-6-13(17)18/h3-4,6,10,15H,5,7-9,11-12H2,1-2H3
InChIKeyINWBPSLRNHGNAU-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.92
Rot. Bonds6

About 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one

1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one (PubChem CID 105416898) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one
PubChem CID105416898
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one
SMILESCN(C)C1(CNCCn2ccccc2=O)CCC1
InChIInChI=1S/C14H23N3O/c1-16(2)14(7-5-8-14)12-15-9-11-17-10-4-3-6-13(17)18/h3-4,6,10,15H,5,7-9,11-12H2,1-2H3
InChIKeyINWBPSLRNHGNAU-UHFFFAOYSA-N
XLogP0.92
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one (CID 105416898) is 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one is CN(C)C1(CNCCn2ccccc2=O)CCC1.
What is the InChIKey of 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one?
The InChIKey is INWBPSLRNHGNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)14(7-5-8-14)12-15-9-11-17-10-4-3-6-13(17)18/h3-4,6,10,15H,5,7-9,11-12H2,1-2H3.
What are the key properties of 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one?
1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 105416898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).