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

C15H21N3O — CID 115117780

IUPAC5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(NC3CCCCC3N)ccc21
InChIInChI=1S/C15H21N3O/c1-18-14-7-6-11(8-10(14)9-15(18)19)17-13-5-3-2-4-12(13)16/h6-8,12-13,17H,2-5,9,16H2,1H3
InChIKeyJJDWLLDAFKMFNB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.89
Rot. Bonds2

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

5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one (PubChem CID 115117780) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one
PubChem CID115117780
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(NC3CCCCC3N)ccc21
InChIInChI=1S/C15H21N3O/c1-18-14-7-6-11(8-10(14)9-15(18)19)17-13-5-3-2-4-12(13)16/h6-8,12-13,17H,2-5,9,16H2,1H3
InChIKeyJJDWLLDAFKMFNB-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one (CID 115117780) is 5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(NC3CCCCC3N)ccc21.
What is the InChIKey of 5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one?
The InChIKey is JJDWLLDAFKMFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-14-7-6-11(8-10(14)9-15(18)19)17-13-5-3-2-4-12(13)16/h6-8,12-13,17H,2-5,9,16H2,1H3.
What are the key properties of 5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one?
5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115117780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).