5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one

C13H19N3O — CID 115137893

IUPAC5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)C(CN)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H19N3O/c1-8(2)12(7-14)15-10-3-4-11-9(5-10)6-13(17)16-11/h3-5,8,12,15H,6-7,14H2,1-2H3,(H,16,17)
InChIKeySJJMTRWDYXAYME-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.58
Rot. Bonds4

About 5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one

5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 115137893) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
PubChem CID115137893
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)C(CN)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H19N3O/c1-8(2)12(7-14)15-10-3-4-11-9(5-10)6-13(17)16-11/h3-5,8,12,15H,6-7,14H2,1-2H3,(H,16,17)
InChIKeySJJMTRWDYXAYME-UHFFFAOYSA-N
XLogP1.58
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
CID 115119380
5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one
CID 115252675
3-amino-2-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115180257
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
N-(2-oxo-1,3-dihydroindol-5-yl)propane-2-sulfonamide
CID 40805053
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
CID 116924938
5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one
CID 115223650

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one (CID 115137893) is 5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one is CC(C)C(CN)Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is SJJMTRWDYXAYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)12(7-14)15-10-3-4-11-9(5-10)6-13(17)16-11/h3-5,8,12,15H,6-7,14H2,1-2H3,(H,16,17).
What are the key properties of 5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one?
5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115137893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).