5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one

C15H23N3O — CID 115204316

IUPAC5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
SMILESCN(CC(C)(C)CCN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H23N3O/c1-15(2,6-7-16)10-18(3)12-4-5-13-11(8-12)9-14(19)17-13/h4-5,8H,6-7,9-10,16H2,1-3H3,(H,17,19)
InChIKeyXBOMFZKYSSUHJK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds5

About 5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one

5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one (PubChem CID 115204316) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
PubChem CID115204316
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
SMILESCN(CC(C)(C)CCN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H23N3O/c1-15(2,6-7-16)10-18(3)12-4-5-13-11(8-12)9-14(19)17-13/h4-5,8H,6-7,9-10,16H2,1-3H3,(H,17,19)
InChIKeyXBOMFZKYSSUHJK-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
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-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204299
5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115204416
5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
CID 115201801
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204315
5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
CID 117041520
3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid
CID 117042344
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid
CID 115141221
5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one
CID 115117886

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one (CID 115204316) is 5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one is CN(CC(C)(C)CCN)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one?
The InChIKey is XBOMFZKYSSUHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,6-7-16)10-18(3)12-4-5-13-11(8-12)9-14(19)17-13/h4-5,8H,6-7,9-10,16H2,1-3H3,(H,17,19).
What are the key properties of 5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one?
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115204316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).