5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one

C17H26N2O — CID 43321079

IUPAC5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
SMILESCC(CC(N)c1ccc2c(c1)CC(=O)N2)CC(C)(C)C
InChIInChI=1S/C17H26N2O/c1-11(10-17(2,3)4)7-14(18)12-5-6-15-13(8-12)9-16(20)19-15/h5-6,8,11,14H,7,9-10,18H2,1-4H3,(H,19,20)
InChIKeyDGZPLRXEELWVOX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.64
Rot. Bonds4

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

5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one (PubChem CID 43321079) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
PubChem CID43321079
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
SMILESCC(CC(N)c1ccc2c(c1)CC(=O)N2)CC(C)(C)C
InChIInChI=1S/C17H26N2O/c1-11(10-17(2,3)4)7-14(18)12-5-6-15-13(8-12)9-16(20)19-15/h5-6,8,11,14H,7,9-10,18H2,1-4H3,(H,19,20)
InChIKeyDGZPLRXEELWVOX-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 62553297
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one
CID 43496647
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 43197980
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one (CID 43321079) is 5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one is CC(CC(N)c1ccc2c(c1)CC(=O)N2)CC(C)(C)C.
What is the InChIKey of 5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one?
The InChIKey is DGZPLRXEELWVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(10-17(2,3)4)7-14(18)12-5-6-15-13(8-12)9-16(20)19-15/h5-6,8,11,14H,7,9-10,18H2,1-4H3,(H,19,20).
What are the key properties of 5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one?
5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one has a molecular weight of 274.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43321079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).