5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one

C14H21N3O — CID 115197988

IUPAC5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
SMILESCNCCCNCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H21N3O/c1-15-6-2-7-16-8-5-11-3-4-13-12(9-11)10-14(18)17-13/h3-4,9,15-16H,2,5-8,10H2,1H3,(H,17,18)
InChIKeyAIKNACWDIIIYBI-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.92
Rot. Bonds7

About 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one

5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one (PubChem CID 115197988) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
PubChem CID115197988
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
SMILESCNCCCNCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H21N3O/c1-15-6-2-7-16-8-5-11-3-4-13-12(9-11)10-14(18)17-13/h3-4,9,15-16H,2,5-8,10H2,1H3,(H,17,18)
InChIKeyAIKNACWDIIIYBI-UHFFFAOYSA-N
XLogP0.92
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115261107
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207
N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119502632
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155707
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115208383
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one (CID 115197988) is 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one is CNCCCNCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is AIKNACWDIIIYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-6-2-7-16-8-5-11-3-4-13-12(9-11)10-14(18)17-13/h3-4,9,15-16H,2,5-8,10H2,1H3,(H,17,18).
What are the key properties of 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one?
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 247.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115197988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).