5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one

C15H23N3O — CID 117040458

IUPAC5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one
SMILESCC(CCN)N(C)CCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H23N3O/c1-11(5-7-16)18(2)8-6-12-3-4-14-13(9-12)10-15(19)17-14/h3-4,9,11H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKeyFODGECYDFPPJSW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.39
Rot. Bonds6

About 5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one

5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one (PubChem CID 117040458) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one
PubChem CID117040458
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one
SMILESCC(CCN)N(C)CCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H23N3O/c1-11(5-7-16)18(2)8-6-12-3-4-14-13(9-12)10-15(19)17-14/h3-4,9,11H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKeyFODGECYDFPPJSW-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-[1-aminopropan-2-yl(methyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 117040127
5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
CID 116924938
5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
CID 115257043
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119583698
N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride
CID 115195045
5-butyl-1,3-dihydroindol-2-one
CID 10219749
2-hydroxy-N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 115140167
6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 117039998
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115205907
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115121496

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one (CID 117040458) is 5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one is CC(CCN)N(C)CCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is FODGECYDFPPJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(5-7-16)18(2)8-6-12-3-4-14-13(9-12)10-15(19)17-14/h3-4,9,11H,5-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one?
5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 117040458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).