1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one

C15H23N3O — CID 115136265

IUPAC1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
SMILESCNCCc1ccc2c(c1)CC(=O)N2CC(C)(C)N
InChIInChI=1S/C15H23N3O/c1-15(2,16)10-18-13-5-4-11(6-7-17-3)8-12(13)9-14(18)19/h4-5,8,17H,6-7,9-10,16H2,1-3H3
InChIKeyUSZZPQGFYFKDIL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.07
Rot. Bonds5

About 1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one

1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one (PubChem CID 115136265) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
PubChem CID115136265
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
SMILESCNCCc1ccc2c(c1)CC(=O)N2CC(C)(C)N
InChIInChI=1S/C15H23N3O/c1-15(2,16)10-18-13-5-4-11(6-7-17-3)8-12(13)9-14(18)19/h4-5,8,17H,6-7,9-10,16H2,1-3H3
InChIKeyUSZZPQGFYFKDIL-UHFFFAOYSA-N
XLogP1.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
CID 115231217
5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
CID 115225243
1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115206096
1-(1-hydroxy-2-methylpropan-2-yl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115133664
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one
CID 115258033
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one
CID 115200017
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one?
The IUPAC name of 1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one (CID 115136265) is 1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one is CNCCc1ccc2c(c1)CC(=O)N2CC(C)(C)N.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one?
The InChIKey is USZZPQGFYFKDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,16)10-18-13-5-4-11(6-7-17-3)8-12(13)9-14(18)19/h4-5,8,17H,6-7,9-10,16H2,1-3H3.
What are the key properties of 1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one?
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one is sourced from PubChem (CID 115136265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).