5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one

C16H25N3O — CID 107819817

IUPAC5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one
SMILESCCCCC(CC)CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H25N3O/c1-3-5-6-11(4-2)10-18-15-9-14-12(7-13(15)17)8-16(20)19-14/h7,9,11,18H,3-6,8,10,17H2,1-2H3,(H,19,20)
InChIKeyVOQFRULWFUUTFT-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.39
Rot. Bonds7

About 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one

5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one (PubChem CID 107819817) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one
PubChem CID107819817
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one
SMILESCCCCC(CC)CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H25N3O/c1-3-5-6-11(4-2)10-18-15-9-14-12(7-13(15)17)8-16(20)19-14/h7,9,11,18H,3-6,8,10,17H2,1-2H3,(H,19,20)
InChIKeyVOQFRULWFUUTFT-UHFFFAOYSA-N
XLogP3.39
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43383163
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
5-amino-6-[(2-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 64680882
1-N-(2-ethylhexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 107819798
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide
CID 61476410
4-bromo-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one (CID 107819817) is 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one is CCCCC(CC)CNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one?
The InChIKey is VOQFRULWFUUTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-5-6-11(4-2)10-18-15-9-14-12(7-13(15)17)8-16(20)19-14/h7,9,11,18H,3-6,8,10,17H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one?
5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one has a molecular weight of 275.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 107819817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).