1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one

C15H23N3O — CID 115206096

IUPAC1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one
SMILESCCNCCN1C(=O)Cc2cc(CCNC)ccc21
InChIInChI=1S/C15H23N3O/c1-3-17-8-9-18-14-5-4-12(6-7-16-2)10-13(14)11-15(18)19/h4-5,10,16-17H,3,6-9,11H2,1-2H3
InChIKeyKDUMSZBYUUAFJL-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.95
Rot. Bonds7

About 1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one

1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one (PubChem CID 115206096) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one
PubChem CID115206096
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one
SMILESCCNCCN1C(=O)Cc2cc(CCNC)ccc21
InChIInChI=1S/C15H23N3O/c1-3-17-8-9-18-14-5-4-12(6-7-16-2)10-13(14)11-15(18)19/h4-5,10,16-17H,3,6-9,11H2,1-2H3
InChIKeyKDUMSZBYUUAFJL-UHFFFAOYSA-N
XLogP0.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.95
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

3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
CID 115231217
5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
CID 115225243
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115136265
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115197456
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide
CID 110788593
1-(1-hydroxy-2-methylpropan-2-yl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115133664
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one?
The IUPAC name of 1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one (CID 115206096) is 1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one is CCNCCN1C(=O)Cc2cc(CCNC)ccc21.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one?
The InChIKey is KDUMSZBYUUAFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-17-8-9-18-14-5-4-12(6-7-16-2)10-13(14)11-15(18)19/h4-5,10,16-17H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one?
1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one has a molecular weight of 261.37 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one is sourced from PubChem (CID 115206096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).