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

C15H23N3O — CID 115204416

IUPAC5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
SMILESCC(C)(CCN)CNCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H23N3O/c1-15(2,5-6-16)10-17-9-11-3-4-13-12(7-11)8-14(19)18-13/h3-4,7,17H,5-6,8-10,16H2,1-2H3,(H,18,19)
InChIKeyHQGJWWHRCAFCIW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.65
Rot. Bonds6

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

5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one (PubChem CID 115204416) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
PubChem CID115204416
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
SMILESCC(C)(CCN)CNCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H23N3O/c1-15(2,5-6-16)10-17-9-11-3-4-13-12(7-11)8-14(19)18-13/h3-4,7,17H,5-6,8-10,16H2,1-2H3,(H,18,19)
InChIKeyHQGJWWHRCAFCIW-UHFFFAOYSA-N
XLogP1.65
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 115136555
5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one
CID 115244726
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
CID 115204316
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115219921
3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247987
5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115147674
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one (CID 115204416) is 5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one is CC(C)(CCN)CNCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one?
The InChIKey is HQGJWWHRCAFCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,5-6-16)10-17-9-11-3-4-13-12(7-11)8-14(19)18-13/h3-4,7,17H,5-6,8-10,16H2,1-2H3,(H,18,19).
What are the key properties of 5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one?
5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115204416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).