5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one

C15H21N3O — CID 115257043

IUPAC5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
SMILESCN(CCc1ccc2c(c1)CC(=O)N2)CC1(N)CC1
InChIInChI=1S/C15H21N3O/c1-18(10-15(16)5-6-15)7-4-11-2-3-13-12(8-11)9-14(19)17-13/h2-3,8H,4-7,9-10,16H2,1H3,(H,17,19)
InChIKeyUNJUXILBRHGXFN-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.15
Rot. Bonds5

About 5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one

5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one (PubChem CID 115257043) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
PubChem CID115257043
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
SMILESCN(CCc1ccc2c(c1)CC(=O)N2)CC1(N)CC1
InChIInChI=1S/C15H21N3O/c1-18(10-15(16)5-6-15)7-4-11-2-3-13-12(8-11)9-14(19)17-13/h2-3,8H,4-7,9-10,16H2,1H3,(H,17,19)
InChIKeyUNJUXILBRHGXFN-UHFFFAOYSA-N
XLogP1.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride
CID 115195045
2-hydroxy-N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 115140167
5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one
CID 117040458
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115262041
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
CID 116924938
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115205907
1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine
CID 115257071

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one (CID 115257043) is 5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one is CN(CCc1ccc2c(c1)CC(=O)N2)CC1(N)CC1.
What is the InChIKey of 5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is UNJUXILBRHGXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(10-15(16)5-6-15)7-4-11-2-3-13-12(8-11)9-14(19)17-13/h2-3,8H,4-7,9-10,16H2,1H3,(H,17,19).
What are the key properties of 5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one?
5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115257043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).