5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one

C14H21N3O — CID 116949019

IUPAC5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2)C(C)(C)CN
InChIInChI=1S/C14H21N3O/c1-14(2,8-15)13(16-3)9-4-5-11-10(6-9)7-12(18)17-11/h4-6,13,16H,7-8,15H2,1-3H3,(H,17,18)
InChIKeyGRBSVGRTNOSCKU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds4

About 5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one

5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one (PubChem CID 116949019) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
PubChem CID116949019
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2)C(C)(C)CN
InChIInChI=1S/C14H21N3O/c1-14(2,8-15)13(16-3)9-4-5-11-10(6-9)7-12(18)17-11/h4-6,13,16H,7-8,15H2,1-3H3,(H,17,18)
InChIKeyGRBSVGRTNOSCKU-UHFFFAOYSA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 79660978
5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116949295
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116959878
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-[2-ethyl-1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43484784
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
2-amino-N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 116850390
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 43321079

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one (CID 116949019) is 5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one is CNC(c1ccc2c(c1)CC(=O)N2)C(C)(C)CN.
What is the InChIKey of 5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
The InChIKey is GRBSVGRTNOSCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,8-15)13(16-3)9-4-5-11-10(6-9)7-12(18)17-11/h4-6,13,16H,7-8,15H2,1-3H3,(H,17,18).
What are the key properties of 5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116949019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).