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

C16H23N3O — CID 61466803

IUPAC5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one
SMILESCCC1CCC(Nc2cc3c(cc2N)CC(=O)N3)CC1
InChIInChI=1S/C16H23N3O/c1-2-10-3-5-12(6-4-10)18-15-9-14-11(7-13(15)17)8-16(20)19-14/h7,9-10,12,18H,2-6,8,17H2,1H3,(H,19,20)
InChIKeyKPPXZHKLGHOAPE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.14
Rot. Bonds3

About 5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one

5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one (PubChem CID 61466803) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one
PubChem CID61466803
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one
SMILESCCC1CCC(Nc2cc3c(cc2N)CC(=O)N3)CC1
InChIInChI=1S/C16H23N3O/c1-2-10-3-5-12(6-4-10)18-15-9-14-11(7-13(15)17)8-16(20)19-14/h7,9-10,12,18H,2-6,8,17H2,1H3,(H,19,20)
InChIKeyKPPXZHKLGHOAPE-UHFFFAOYSA-N
XLogP3.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
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-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 63990134
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one
CID 62360148
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43383163
5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
CID 63826182
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one (CID 61466803) is 5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one is CCC1CCC(Nc2cc3c(cc2N)CC(=O)N3)CC1.
What is the InChIKey of 5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is KPPXZHKLGHOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-10-3-5-12(6-4-10)18-15-9-14-11(7-13(15)17)8-16(20)19-14/h7,9-10,12,18H,2-6,8,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one?
5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61466803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).