5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one

C14H21N3O — CID 90864902

IUPAC5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(CCN)c(CCN)cc21
InChIInChI=1S/C14H21N3O/c1-14(2)11-7-9(3-5-15)10(4-6-16)8-12(11)17-13(14)18/h7-8H,3-6,15-16H2,1-2H3,(H,17,18)
InChIKeyGRNSMNOXOGHQSD-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.92
Rot. Bonds4

About 5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one

5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 90864902) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one
PubChem CID90864902
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(CCN)c(CCN)cc21
InChIInChI=1S/C14H21N3O/c1-14(2)11-7-9(3-5-15)10(4-6-16)8-12(11)17-13(14)18/h7-8H,3-6,15-16H2,1-2H3,(H,17,18)
InChIKeyGRNSMNOXOGHQSD-UHFFFAOYSA-N
XLogP0.92
TPSA81.14 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 ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one
CID 103996520
6-chloro-5-fluoro-3,3-dimethyl-1H-indol-2-one
CID 163423174
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one
CID 82190547
5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82475951
2-but-1-enyl-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
CID 67937781
5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019
5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one
CID 96668624
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 117332888
5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
CID 82190459
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one (CID 90864902) is 5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2cc(CCN)c(CCN)cc21.
What is the InChIKey of 5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is GRNSMNOXOGHQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)11-7-9(3-5-15)10(4-6-16)8-12(11)17-13(14)18/h7-8H,3-6,15-16H2,1-2H3,(H,17,18).
What are the key properties of 5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one?
5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 247.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 90864902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).