5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one

C13H19N3O — CID 115196517

IUPAC5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one
SMILESCC(N)CNCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H19N3O/c1-9(14)7-15-8-10-3-4-12-11(5-10)6-13(17)16(12)2/h3-5,9,15H,6-8,14H2,1-2H3
InChIKeyPWPJDSJLRZJSFH-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.64
Rot. Bonds4

About 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one

5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one (PubChem CID 115196517) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one
PubChem CID115196517
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one
SMILESCC(N)CNCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H19N3O/c1-9(14)7-15-8-10-3-4-12-11(5-10)6-13(17)16(12)2/h3-5,9,15H,6-8,14H2,1-2H3
InChIKeyPWPJDSJLRZJSFH-UHFFFAOYSA-N
XLogP0.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-aminobutylamino)methyl]-1-methyl-3H-indol-2-one
CID 115199282
5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115122100
5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one
CID 115258520
5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115138117
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82190766
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one (CID 115196517) is 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one is CC(N)CNCc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is PWPJDSJLRZJSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(14)7-15-8-10-3-4-12-11(5-10)6-13(17)16(12)2/h3-5,9,15H,6-8,14H2,1-2H3.
What are the key properties of 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one?
5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115196517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).