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

C14H21N3O — CID 115201801

IUPAC5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
SMILESCNCCCCN(C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H21N3O/c1-15-7-3-4-8-17(2)12-5-6-13-11(9-12)10-14(18)16-13/h5-6,9,15H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyDLMCZYGQQXZCAJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.62
Rot. Bonds6

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

5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one (PubChem CID 115201801) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
PubChem CID115201801
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
SMILESCNCCCCN(C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H21N3O/c1-15-7-3-4-8-17(2)12-5-6-13-11(9-12)10-14(18)16-13/h5-6,9,15H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyDLMCZYGQQXZCAJ-UHFFFAOYSA-N
XLogP1.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.62
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-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
6-[methyl-[4-(methylamino)butyl]amino]-4H-1,4-benzoxazin-3-one
CID 115201828
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115218529
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
CID 115204316
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201852
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231559
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one (CID 115201801) is 5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one is CNCCCCN(C)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one?
The InChIKey is DLMCZYGQQXZCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-7-3-4-8-17(2)12-5-6-13-11(9-12)10-14(18)16-13/h5-6,9,15H,3-4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one?
5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115201801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).