5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one

C16H24N2O — CID 98017086

IUPAC5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one
SMILESCCNCCCCc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C16H24N2O/c1-4-17-10-6-5-7-12-8-9-14-13(11-12)16(2,3)15(19)18-14/h8-9,11,17H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyKDZOMPHWLFFODR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds6

About 5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one

5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 98017086) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID98017086
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one
SMILESCCNCCCCc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C16H24N2O/c1-4-17-10-6-5-7-12-8-9-14-13(11-12)16(2,3)15(19)18-14/h8-9,11,17H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyKDZOMPHWLFFODR-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
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-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one
CID 96669855
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide
CID 110784036
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-ethylbutan-1-amine
CID 107294643
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-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630
3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
CID 82484806
N-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]pyridine-3-carboxamide
CID 110790308
3,3-dimethyl-5-[[3-(6-oxoheptyl)phenoxy]methyl]-1H-indol-2-one
CID 20597868
5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019

Frequently Asked Questions

What is the IUPAC name of 5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one (CID 98017086) is 5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one is CCNCCCCc1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is KDZOMPHWLFFODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-17-10-6-5-7-12-8-9-14-13(11-12)16(2,3)15(19)18-14/h8-9,11,17H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of 5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one?
5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 98017086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).