5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one

C14H19N3O2 — CID 62360148

IUPAC5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NC1CCCCC1O)NC(=O)C2
InChIInChI=1S/C14H19N3O2/c15-9-5-8-6-14(19)17-11(8)7-12(9)16-10-3-1-2-4-13(10)18/h5,7,10,13,16,18H,1-4,6,15H2,(H,17,19)
InChIKeyZFTXNTJUDUZHSS-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.48
Rot. Bonds2

About 5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one

5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one (PubChem CID 62360148) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one
PubChem CID62360148
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NC1CCCCC1O)NC(=O)C2
InChIInChI=1S/C14H19N3O2/c15-9-5-8-6-14(19)17-11(8)7-12(9)16-10-3-1-2-4-13(10)18/h5,7,10,13,16,18H,1-4,6,15H2,(H,17,19)
InChIKeyZFTXNTJUDUZHSS-UHFFFAOYSA-N
XLogP1.48
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 62360498
5-amino-6-(cyclopentylamino)-1,3-dihydroindol-2-one
CID 43451665
5-amino-6-[(2-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 61466876
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63278188
5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 61466803
6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 106358997
5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
CID 63826182
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 61466841

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one (CID 62360148) is 5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one is Nc1cc2c(cc1NC1CCCCC1O)NC(=O)C2.
What is the InChIKey of 5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is ZFTXNTJUDUZHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-9-5-8-6-14(19)17-11(8)7-12(9)16-10-3-1-2-4-13(10)18/h5,7,10,13,16,18H,1-4,6,15H2,(H,17,19).
What are the key properties of 5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one?
5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 62360148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).