1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C15H24N2O — CID 113391056

IUPAC1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(C)CCNCCn1c2c(ccc1=O)CCC2
InChIInChI=1S/C15H24N2O/c1-12(2)8-9-16-10-11-17-14-5-3-4-13(14)6-7-15(17)18/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyDKGIRNUFIZPOSU-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.97
Rot. Bonds6

About 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 113391056) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID113391056
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(C)CCNCCn1c2c(ccc1=O)CCC2
InChIInChI=1S/C15H24N2O/c1-12(2)8-9-16-10-11-17-14-5-3-4-13(14)6-7-15(17)18/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyDKGIRNUFIZPOSU-UHFFFAOYSA-N
XLogP1.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]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

Related Compounds

6-Amino-1-isobutyl-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 118738743
1-[2-(Dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118745778
(6E)-6-[(E)-3-fluoro-7-(methylamino)hept-2-en-4-ylidene]-1-methyl-5-methylidenepyridin-2-one
CID 169624032
1-[2-(2,2,2-trifluoroethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104248061
1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113390996
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113807418
N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018733
(9aS)-5-amino-3-(2-methylpropyl)-2,8,9,9a-tetrahydro-1H-3-benzazepin-4-one
CID 20589651
(9aS)-5-amino-3-methyl-2,8,9,9a-tetrahydro-1H-3-benzazepin-4-one
CID 20589652
5-amino-3-methyl-2,8,9,9a-tetrahydro-1H-3-benzazepin-4-one
CID 22393012
5-amino-3-(2-methylpropyl)-2,8,9,9a-tetrahydro-1H-3-benzazepin-4-one
CID 22393033
5-Amino-1,5-dimethyl-6,7-dihydrocyclopenta[b]pyridin-2-one
CID 67652313

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 113391056) is 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CC(C)CCNCCn1c2c(ccc1=O)CCC2.
What is the InChIKey of 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is DKGIRNUFIZPOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)8-9-16-10-11-17-14-5-3-4-13(14)6-7-15(17)18/h6-7,12,16H,3-5,8-11H2,1-2H3.
What are the key properties of 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 248.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 113391056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).