5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one

C17H26N2O — CID 96669855

IUPAC5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC(C)(N)CCCCc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C17H26N2O/c1-16(2,18)10-6-5-7-12-8-9-14-13(11-12)17(3,4)15(20)19-14/h8-9,11H,5-7,10,18H2,1-4H3,(H,19,20)
InChIKeyKUNBSQISPMCENO-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.37
Rot. Bonds5

About 5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one

5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 96669855) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one
PubChem CID96669855
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC(C)(N)CCCCc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C17H26N2O/c1-16(2,18)10-6-5-7-12-8-9-14-13(11-12)17(3,4)15(20)19-14/h8-9,11H,5-7,10,18H2,1-4H3,(H,19,20)
InChIKeyKUNBSQISPMCENO-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-5-[4-(methylamino)butyl]-1H-indol-2-one
CID 96662884
5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one
CID 98017086
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019
5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 117332888
5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
CID 82190459
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide
CID 110784021
3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one
CID 82484213
5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one
CID 110801562
3,3-dimethyl-5-[[3-(6-oxoheptyl)phenoxy]methyl]-1H-indol-2-one
CID 20597868
5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82475951
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide
CID 110784036

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one (CID 96669855) is 5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one is CC(C)(N)CCCCc1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is KUNBSQISPMCENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2,18)10-6-5-7-12-8-9-14-13(11-12)17(3,4)15(20)19-14/h8-9,11H,5-7,10,18H2,1-4H3,(H,19,20).
What are the key properties of 5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one?
5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 274.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 96669855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).