5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one

C14H21N3O — CID 115227485

IUPAC5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
SMILESCNCNCC(C)(C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H21N3O/c1-14(2,8-16-9-15-3)11-4-5-12-10(6-11)7-13(18)17-12/h4-6,15-16H,7-9H2,1-3H3,(H,17,18)
InChIKeyQPEAPKXVFXJQTC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.23
Rot. Bonds5

About 5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one

5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one (PubChem CID 115227485) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
PubChem CID115227485
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
SMILESCNCNCC(C)(C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H21N3O/c1-14(2,8-16-9-15-3)11-4-5-12-10(6-11)7-13(18)17-12/h4-6,15-16H,7-9H2,1-3H3,(H,17,18)
InChIKeyQPEAPKXVFXJQTC-UHFFFAOYSA-N
XLogP1.23
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 115229633
N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide
CID 115194235
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115228559
N-[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]acetamide
CID 115191431
[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
CID 115168783
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 115136555
5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115204416
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one
CID 115252675
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one (CID 115227485) is 5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one is CNCNCC(C)(C)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one?
The InChIKey is QPEAPKXVFXJQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,8-16-9-15-3)11-4-5-12-10(6-11)7-13(18)17-12/h4-6,15-16H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one?
5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115227485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).