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

C16H25N3O — CID 43587844

IUPAC5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)CN(CC(C)C)c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H25N3O/c1-10(2)8-19(9-11(3)4)15-7-14-12(5-13(15)17)6-16(20)18-14/h5,7,10-11H,6,8-9,17H2,1-4H3,(H,18,20)
InChIKeyKRNLKBHPGZGYHB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.88
Rot. Bonds5

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

5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one (PubChem CID 43587844) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one
PubChem CID43587844
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)CN(CC(C)C)c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H25N3O/c1-10(2)8-19(9-11(3)4)15-7-14-12(5-13(15)17)6-16(20)18-14/h5,7,10-11H,6,8-9,17H2,1-4H3,(H,18,20)
InChIKeyKRNLKBHPGZGYHB-UHFFFAOYSA-N
XLogP2.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43383177
5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 43451835
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one
CID 63694273
5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one
CID 113475446
5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
CID 81059680
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)-propan-2-ylamino]propanenitrile
CID 54998527
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455478
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-butan-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 43451982

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one (CID 43587844) is 5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one is CC(C)CN(CC(C)C)c1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is KRNLKBHPGZGYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10(2)8-19(9-11(3)4)15-7-14-12(5-13(15)17)6-16(20)18-14/h5,7,10-11H,6,8-9,17H2,1-4H3,(H,18,20).
What are the key properties of 5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one?
5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43587844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).