1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C17H28N2O — CID 106800562

IUPAC1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCCNC(CC)CCCn1c2c(ccc1=O)CCC2
InChIInChI=1S/C17H28N2O/c1-3-12-18-15(4-2)8-6-13-19-16-9-5-7-14(16)10-11-17(19)20/h10-11,15,18H,3-9,12-13H2,1-2H3
InChIKeyCGPBMVRQAQSTNN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.90
Rot. Bonds8

About 1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 106800562) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID106800562
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCCNC(CC)CCCn1c2c(ccc1=O)CCC2
InChIInChI=1S/C17H28N2O/c1-3-12-18-15(4-2)8-6-13-19-16-9-5-7-14(16)10-11-17(19)20/h10-11,15,18H,3-9,12-13H2,1-2H3
InChIKeyCGPBMVRQAQSTNN-UHFFFAOYSA-N
XLogP2.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169241
1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391056
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197
1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391010
2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 106800379
1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104748154
1-[4-(ethylamino)hexyl]quinolin-2-one
CID 106800412
1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113390999
1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104748148
1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391037
5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile
CID 81115525
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
CID 64648659

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 106800562) is 1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCCNC(CC)CCCn1c2c(ccc1=O)CCC2.
What is the InChIKey of 1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is CGPBMVRQAQSTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-12-18-15(4-2)8-6-13-19-16-9-5-7-14(16)10-11-17(19)20/h10-11,15,18H,3-9,12-13H2,1-2H3.
What are the key properties of 1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 276.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 106800562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).