5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one

C12H17N3O — CID 82493886

IUPAC5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCCN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H17N3O/c1-15(6-2-5-13)10-3-4-11-9(7-10)8-12(16)14-11/h3-4,7H,2,5-6,8,13H2,1H3,(H,14,16)
InChIKeyMVMSRFZSQLNMLL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.97
Rot. Bonds4

About 5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one

5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one (PubChem CID 82493886) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
PubChem CID82493886
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCCN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H17N3O/c1-15(6-2-5-13)10-3-4-11-9(7-10)8-12(16)14-11/h3-4,7H,2,5-6,8,13H2,1H3,(H,14,16)
InChIKeyMVMSRFZSQLNMLL-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
CID 115201801
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
CID 115204316
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115218529
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155349
6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115319432
5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
CID 117041520
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231559
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436

Frequently Asked Questions

What is the IUPAC name of 5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one (CID 82493886) is 5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one is CN(CCCN)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is MVMSRFZSQLNMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(6-2-5-13)10-3-4-11-9(7-10)8-12(16)14-11/h3-4,7H,2,5-6,8,13H2,1H3,(H,14,16).
What are the key properties of 5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one?
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82493886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).