3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one

C13H19N3O — CID 114993784

IUPAC3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one
SMILESCCc1ccc2c(c1)C(NCCCN)C(=O)N2
InChIInChI=1S/C13H19N3O/c1-2-9-4-5-11-10(8-9)12(13(17)16-11)15-7-3-6-14/h4-5,8,12,15H,2-3,6-7,14H2,1H3,(H,16,17)
InChIKeyZGJGMMUDSQCYEC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds5

About 3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one

3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one (PubChem CID 114993784) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one
PubChem CID114993784
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one
SMILESCCc1ccc2c(c1)C(NCCCN)C(=O)N2
InChIInChI=1S/C13H19N3O/c1-2-9-4-5-11-10(8-9)12(13(17)16-11)15-7-3-6-14/h4-5,8,12,15H,2-3,6-7,14H2,1H3,(H,16,17)
InChIKeyZGJGMMUDSQCYEC-UHFFFAOYSA-N
XLogP1.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
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

3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one
CID 82238898
2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 114993679
3-(4-aminobutylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 114996534
5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
CID 114999748
N-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3155458
2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide
CID 114989561
5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one
CID 114990098
5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
CID 114990088
5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one
CID 82190449
5-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196127
5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one
CID 43206912
5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 115002940

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one (CID 114993784) is 3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one is CCc1ccc2c(c1)C(NCCCN)C(=O)N2.
What is the InChIKey of 3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one?
The InChIKey is ZGJGMMUDSQCYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-9-4-5-11-10(8-9)12(13(17)16-11)15-7-3-6-14/h4-5,8,12,15H,2-3,6-7,14H2,1H3,(H,16,17).
What are the key properties of 3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one?
3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 114993784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).