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

C13H19N3O — CID 116949295

IUPAC5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one
SMILESCNC(CCCN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H19N3O/c1-15-11(3-2-6-14)9-4-5-12-10(7-9)8-13(17)16-12/h4-5,7,11,15H,2-3,6,8,14H2,1H3,(H,16,17)
InChIKeyRQVWOXXOFVKXMJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds5

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

5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one (PubChem CID 116949295) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one
PubChem CID116949295
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one
SMILESCNC(CCCN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H19N3O/c1-15-11(3-2-6-14)9-4-5-12-10(7-9)8-13(17)16-12/h4-5,7,11,15H,2-3,6,8,14H2,1H3,(H,16,17)
InChIKeyRQVWOXXOFVKXMJ-UHFFFAOYSA-N
XLogP1.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116952949
6-[1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483892
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
7-[1-(methylamino)heptyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 114752371
5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 62387864
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
6-[1-(methylamino)-3-sulfanylpropyl]-3,4-dihydro-1H-quinolin-2-one
CID 116831398
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116949253
5-[2-ethyl-1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43484784
7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one (CID 116949295) is 5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one is CNC(CCCN)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
The InChIKey is RQVWOXXOFVKXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-11(3-2-6-14)9-4-5-12-10(7-9)8-13(17)16-12/h4-5,7,11,15H,2-3,6,8,14H2,1H3,(H,16,17).
What are the key properties of 5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116949295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).