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

C14H21N3O — CID 115205907

IUPAC5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one
SMILESCCNCCN(C)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H21N3O/c1-3-15-6-7-17(2)10-11-4-5-13-12(8-11)9-14(18)16-13/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyXUCQQQZJFIDWBZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.22
Rot. Bonds6

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

5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one (PubChem CID 115205907) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one
PubChem CID115205907
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one
SMILESCCNCCN(C)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H21N3O/c1-3-15-6-7-17(2)10-11-4-5-13-12(8-11)9-14(18)16-13/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyXUCQQQZJFIDWBZ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115262041
N-methyl-3-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]propanamide
CID 115153275
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115121496
methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate
CID 115142468
2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid
CID 115240765
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-3-sulfanylpropanamide
CID 115167940
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one (CID 115205907) is 5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one is CCNCCN(C)Cc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one?
The InChIKey is XUCQQQZJFIDWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-15-6-7-17(2)10-11-4-5-13-12(8-11)9-14(18)16-13/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one?
5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115205907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).