5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one

C17H27N3O — CID 107814730

IUPAC5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
SMILESCC(C)CCCCCCNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C17H27N3O/c1-12(2)7-5-3-4-6-8-19-16-11-15-13(9-14(16)18)10-17(21)20-15/h9,11-12,19H,3-8,10,18H2,1-2H3,(H,20,21)
InChIKeyDGLAEVSGQMZMFN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.78
Rot. Bonds8

About 5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one

5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one (PubChem CID 107814730) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
PubChem CID107814730
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
SMILESCC(C)CCCCCCNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C17H27N3O/c1-12(2)7-5-3-4-6-8-19-16-11-15-13(9-14(16)18)10-17(21)20-15/h9,11-12,19H,3-8,10,18H2,1-2H3,(H,20,21)
InChIKeyDGLAEVSGQMZMFN-UHFFFAOYSA-N
XLogP3.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
CID 63826182
5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one
CID 60905011
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one
CID 107819817
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
5-amino-6-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
CID 61240190

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one (CID 107814730) is 5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one is CC(C)CCCCCCNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one?
The InChIKey is DGLAEVSGQMZMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)7-5-3-4-6-8-19-16-11-15-13(9-14(16)18)10-17(21)20-15/h9,11-12,19H,3-8,10,18H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one?
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 107814730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).