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

C14H21N3O — CID 62196263

IUPAC5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCCCC(C)Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H21N3O/c1-3-4-5-9(2)16-13-8-12-10(6-11(13)15)7-14(18)17-12/h6,8-9,16H,3-5,7,15H2,1-2H3,(H,17,18)
InChIKeyZYGFSRWLBGGCEZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds5

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

5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 62196263) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID62196263
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCCCC(C)Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H21N3O/c1-3-4-5-9(2)16-13-8-12-10(6-11(13)15)7-14(18)17-12/h6,8-9,16H,3-5,7,15H2,1-2H3,(H,17,18)
InChIKeyZYGFSRWLBGGCEZ-UHFFFAOYSA-N
XLogP2.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.75
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-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 63990134
5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one
CID 107819817
6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
CID 43691740
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide
CID 61476410
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61469174
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723883

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one (CID 62196263) is 5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one is CCCCC(C)Nc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is ZYGFSRWLBGGCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-4-5-9(2)16-13-8-12-10(6-11(13)15)7-14(18)17-12/h6,8-9,16H,3-5,7,15H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one?
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62196263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).