5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one

C15H21N3O — CID 115117886

IUPAC5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one
SMILESCN(c1ccc2c(c1)CC(=O)N2)C1CCCCC1N
InChIInChI=1S/C15H21N3O/c1-18(14-5-3-2-4-12(14)16)11-6-7-13-10(8-11)9-15(19)17-13/h6-8,12,14H,2-5,9,16H2,1H3,(H,17,19)
InChIKeyGWBFHIWOTYXFIK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.89
Rot. Bonds2

About 5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one

5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one (PubChem CID 115117886) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one
PubChem CID115117886
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one
SMILESCN(c1ccc2c(c1)CC(=O)N2)C1CCCCC1N
InChIInChI=1S/C15H21N3O/c1-18(14-5-3-2-4-12(14)16)11-6-7-13-10(8-11)9-15(19)17-13/h6-8,12,14H,2-5,9,16H2,1H3,(H,17,19)
InChIKeyGWBFHIWOTYXFIK-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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Related Compounds

5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid
CID 115141221
5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
5-cyclopentyl-1,3-dihydroindol-2-one
CID 23363851
N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 115159432
5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
CID 117041520
1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine
CID 115117308
1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide
CID 115171999
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
CID 115204316
2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117860
N-cyclopentyl-N-cyclopropyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110872943
3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid
CID 117042344

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one (CID 115117886) is 5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one is CN(c1ccc2c(c1)CC(=O)N2)C1CCCCC1N.
What is the InChIKey of 5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one?
The InChIKey is GWBFHIWOTYXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(14-5-3-2-4-12(14)16)11-6-7-13-10(8-11)9-15(19)17-13/h6-8,12,14H,2-5,9,16H2,1H3,(H,17,19).
What are the key properties of 5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one?
5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-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)-methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115117886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).