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

C15H23N3O — CID 115252675

IUPAC5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one
SMILESCNCC(CNc1ccc2c(c1)CC(=O)N2)C(C)C
InChIInChI=1S/C15H23N3O/c1-10(2)12(8-16-3)9-17-13-4-5-14-11(6-13)7-15(19)18-14/h4-6,10,12,16-17H,7-9H2,1-3H3,(H,18,19)
InChIKeySSPTXPDSEYRFLG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.08
Rot. Bonds6

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

5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one (PubChem CID 115252675) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one
PubChem CID115252675
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one
SMILESCNCC(CNc1ccc2c(c1)CC(=O)N2)C(C)C
InChIInChI=1S/C15H23N3O/c1-10(2)12(8-16-3)9-17-13-4-5-14-11(6-13)7-15(19)18-14/h4-6,10,12,16-17H,7-9H2,1-3H3,(H,18,19)
InChIKeySSPTXPDSEYRFLG-UHFFFAOYSA-N
XLogP2.08
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
CID 115119380
2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
CID 115137893
5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one
CID 115223650
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
N-(2-oxo-1,3-dihydroindol-5-yl)propane-2-sulfonamide
CID 40805053
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521

Frequently Asked Questions

What is the IUPAC name of 5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one (CID 115252675) is 5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one is CNCC(CNc1ccc2c(c1)CC(=O)N2)C(C)C.
What is the InChIKey of 5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one?
The InChIKey is SSPTXPDSEYRFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)12(8-16-3)9-17-13-4-5-14-11(6-13)7-15(19)18-14/h4-6,10,12,16-17H,7-9H2,1-3H3,(H,18,19).
What are the key properties of 5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one?
5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115252675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).