5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one

C14H20N2O — CID 82173119

IUPAC5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C(C)N)c(C)c2C
InChIInChI=1S/C14H20N2O/c1-5-10-12-6-11(9(4)15)7(2)8(3)13(12)16-14(10)17/h6,9-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyQTJUQGSHVBHPNN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.77
Rot. Bonds2

About 5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one

5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82173119) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID82173119
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C(C)N)c(C)c2C
InChIInChI=1S/C14H20N2O/c1-5-10-12-6-11(9(4)15)7(2)8(3)13(12)16-14(10)17/h6,9-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyQTJUQGSHVBHPNN-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173135
5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82173846
5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173129
3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173141
5-(2-aminopropyl)-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82190504
7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173275
6-chloro-3-ethyl-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173855
7-[amino-(4-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172666
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974
7-[amino-(2-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172664
7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172665
5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173602

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one (CID 82173119) is 5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c1cc(C(C)N)c(C)c2C.
What is the InChIKey of 5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is QTJUQGSHVBHPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-10-12-6-11(9(4)15)7(2)8(3)13(12)16-14(10)17/h6,9-10H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one?
5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).