3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one

C15H23N3O — CID 43254795

IUPAC3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
SMILESCCN(CC)CCN1C(=O)C(N)c2cc(C)ccc21
InChIInChI=1S/C15H23N3O/c1-4-17(5-2)8-9-18-13-7-6-11(3)10-12(13)14(16)15(18)19/h6-7,10,14H,4-5,8-9,16H2,1-3H3
InChIKeyAGEGGIZXQQWFIY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.68
Rot. Bonds5

About 3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one

3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one (PubChem CID 43254795) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
PubChem CID43254795
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
SMILESCCN(CC)CCN1C(=O)C(N)c2cc(C)ccc21
InChIInChI=1S/C15H23N3O/c1-4-17(5-2)8-9-18-13-7-6-11(3)10-12(13)14(16)15(18)19/h6-7,10,14H,4-5,8-9,16H2,1-3H3
InChIKeyAGEGGIZXQQWFIY-UHFFFAOYSA-N
XLogP1.68
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one
CID 43255106
3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 43254791
3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one
CID 43254818
3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one
CID 114994368
3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one
CID 43254834
(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
3-amino-1-[(E)-2-ethenylbut-2-enyl]-5-methyl-3H-indol-2-one
CID 76853938
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one
CID 62987546
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
3-amino-5-fluoro-1-octyl-3H-indol-2-one
CID 43254783
2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
CID 43254827

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one (CID 43254795) is 3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one is CCN(CC)CCN1C(=O)C(N)c2cc(C)ccc21.
What is the InChIKey of 3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one?
The InChIKey is AGEGGIZXQQWFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-17(5-2)8-9-18-13-7-6-11(3)10-12(13)14(16)15(18)19/h6-7,10,14H,4-5,8-9,16H2,1-3H3.
What are the key properties of 3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one?
3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one is sourced from PubChem (CID 43254795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).