1,4-ditert-butyl-2,3-dihydroindole

C16H25N — CID 59448208

IUPAC1,4-ditert-butyl-2,3-dihydroindole
SMILESCC(C)(C)c1cccc2c1CCN2C(C)(C)C
InChIInChI=1S/C16H25N/c1-15(2,3)13-8-7-9-14-12(13)10-11-17(14)16(4,5)6/h7-9H,10-11H2,1-6H3
InChIKeyHTTDZGRBLWYVRL-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.15
Rot. Bonds

About 1,4-ditert-butyl-2,3-dihydroindole

1,4-ditert-butyl-2,3-dihydroindole (PubChem CID 59448208) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1,4-ditert-butyl-2,3-dihydroindole.

Molecular Properties

Compound Name1,4-ditert-butyl-2,3-dihydroindole
PubChem CID59448208
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1,4-ditert-butyl-2,3-dihydroindole
SMILESCC(C)(C)c1cccc2c1CCN2C(C)(C)C
InChIInChI=1S/C16H25N/c1-15(2,3)13-8-7-9-14-12(13)10-11-17(14)16(4,5)6/h7-9H,10-11H2,1-6H3
InChIKeyHTTDZGRBLWYVRL-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-ditert-butyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2,3-dihydroindole?
The IUPAC name of 1,4-ditert-butyl-2,3-dihydroindole (CID 59448208) is 1,4-ditert-butyl-2,3-dihydroindole.
What is the SMILES notation for 1,4-ditert-butyl-2,3-dihydroindole?
The canonical SMILES for 1,4-ditert-butyl-2,3-dihydroindole is CC(C)(C)c1cccc2c1CCN2C(C)(C)C.
What is the InChIKey of 1,4-ditert-butyl-2,3-dihydroindole?
The InChIKey is HTTDZGRBLWYVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-15(2,3)13-8-7-9-14-12(13)10-11-17(14)16(4,5)6/h7-9H,10-11H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-2,3-dihydroindole?
1,4-ditert-butyl-2,3-dihydroindole has a molecular weight of 231.38 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2,3-dihydroindole is sourced from PubChem (CID 59448208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).