5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one

C13H19N3O — CID 115201098

IUPAC5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCCCN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H19N3O/c1-16(7-3-2-6-14)11-4-5-12-10(8-11)9-13(17)15-12/h4-5,8H,2-3,6-7,9,14H2,1H3,(H,15,17)
InChIKeyTVNNWFNCZIXIOH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.36
Rot. Bonds5

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

5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one (PubChem CID 115201098) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
PubChem CID115201098
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCCCN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H19N3O/c1-16(7-3-2-6-14)11-4-5-12-10(8-11)9-13(17)15-12/h4-5,8H,2-3,6-7,9,14H2,1H3,(H,15,17)
InChIKeyTVNNWFNCZIXIOH-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
CID 115201801
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
CID 115204316
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115218529
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
CID 117041520
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231559
6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115201298
4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155349

Frequently Asked Questions

What is the IUPAC name of 5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one (CID 115201098) is 5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one is CN(CCCCN)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is TVNNWFNCZIXIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(7-3-2-6-14)11-4-5-12-10(8-11)9-13(17)15-12/h4-5,8H,2-3,6-7,9,14H2,1H3,(H,15,17).
What are the key properties of 5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one?
5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115201098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).