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

C18H29N3O — CID 91511607

IUPAC5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one
SMILESCC(C)(N)CCc1cc2c(cc1CCC(C)(C)N)NC(=O)C2
InChIInChI=1S/C18H29N3O/c1-17(2,19)7-5-12-9-14-11-16(22)21-15(14)10-13(12)6-8-18(3,4)20/h9-10H,5-8,11,19-20H2,1-4H3,(H,21,22)
InChIKeyBRQPOSJVNWPZTN-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.52
Rot. Bonds6

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

5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one (PubChem CID 91511607) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one
PubChem CID91511607
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one
SMILESCC(C)(N)CCc1cc2c(cc1CCC(C)(C)N)NC(=O)C2
InChIInChI=1S/C18H29N3O/c1-17(2,19)7-5-12-9-14-11-16(22)21-15(14)10-13(12)6-8-18(3,4)20/h9-10H,5-8,11,19-20H2,1-4H3,(H,21,22)
InChIKeyBRQPOSJVNWPZTN-UHFFFAOYSA-N
XLogP2.52
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-6-fluoro-1,3-dihydroindol-2-one
CID 70647760
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691
5,6-diethoxy-1,3-dihydroindol-2-one
CID 22668692
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one
CID 113475446
6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one
CID 162059497
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
CID 106275147
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
6-amino-5-fluoro-1,3-dihydroindol-2-one
CID 10103504
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one (CID 91511607) is 5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one is CC(C)(N)CCc1cc2c(cc1CCC(C)(C)N)NC(=O)C2.
What is the InChIKey of 5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one?
The InChIKey is BRQPOSJVNWPZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-17(2,19)7-5-12-9-14-11-16(22)21-15(14)10-13(12)6-8-18(3,4)20/h9-10H,5-8,11,19-20H2,1-4H3,(H,21,22).
What are the key properties of 5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one?
5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one has a molecular weight of 303.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(3-amino-3-methylbutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 91511607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).