3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one

C17H25N3O — CID 61449124

IUPAC3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one
SMILESCCC1CCC(N(C)c2ccc3c(c2)NC(=O)C3N)CC1
InChIInChI=1S/C17H25N3O/c1-3-11-4-6-12(7-5-11)20(2)13-8-9-14-15(10-13)19-17(21)16(14)18/h8-12,16H,3-7,18H2,1-2H3,(H,19,21)
InChIKeyVJBFGDFGBWVQBP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.04
Rot. Bonds3

About 3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one

3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one (PubChem CID 61449124) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one
PubChem CID61449124
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one
SMILESCCC1CCC(N(C)c2ccc3c(c2)NC(=O)C3N)CC1
InChIInChI=1S/C17H25N3O/c1-3-11-4-6-12(7-5-11)20(2)13-8-9-14-15(10-13)19-17(21)16(14)18/h8-12,16H,3-7,18H2,1-2H3,(H,19,21)
InChIKeyVJBFGDFGBWVQBP-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ropinirole
CID 5095
Ropinirole Hydrochloride
CID 68727
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
3-[4-(Dimethylamino)benzylidene]indolin-2-one
CID 5353593
2-(4-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 9997232
2-(2-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 10090773
(3E)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]-1H-indol-2-one
CID 5703613
3-(4-Dimethylaminobenzylidenyl)-2-indolinone
CID 3135
Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
1-Acetyl-6-aminoindoline
CID 258564
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
(1S,2S)-1-(dimethylcarbamoyl)-1-(4-acetamidophenyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium
CID 23647704

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one (CID 61449124) is 3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one is CCC1CCC(N(C)c2ccc3c(c2)NC(=O)C3N)CC1.
What is the InChIKey of 3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one?
The InChIKey is VJBFGDFGBWVQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-11-4-6-12(7-5-11)20(2)13-8-9-14-15(10-13)19-17(21)16(14)18/h8-12,16H,3-7,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one?
3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one has a molecular weight of 287.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61449124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).