2,6-ditert-butyl-1-cyclobutylindole

C20H29N — CID 153429566

IUPAC2,6-ditert-butyl-1-cyclobutylindole
SMILESCC(C)(C)c1ccc2cc(C(C)(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C20H29N/c1-19(2,3)15-11-10-14-12-18(20(4,5)6)21(17(14)13-15)16-8-7-9-16/h10-13,16H,7-9H2,1-6H3
InChIKeyGJGRMNMTTHDFIG-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.96
Rot. Bonds1

About 2,6-ditert-butyl-1-cyclobutylindole

2,6-ditert-butyl-1-cyclobutylindole (PubChem CID 153429566) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 2,6-ditert-butyl-1-cyclobutylindole.

Molecular Properties

Compound Name2,6-ditert-butyl-1-cyclobutylindole
PubChem CID153429566
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name2,6-ditert-butyl-1-cyclobutylindole
SMILESCC(C)(C)c1ccc2cc(C(C)(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C20H29N/c1-19(2,3)15-11-10-14-12-18(20(4,5)6)21(17(14)13-15)16-8-7-9-16/h10-13,16H,7-9H2,1-6H3
InChIKeyGJGRMNMTTHDFIG-UHFFFAOYSA-N
XLogP5.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1-cyclobutylindole?
The IUPAC name of 2,6-ditert-butyl-1-cyclobutylindole (CID 153429566) is 2,6-ditert-butyl-1-cyclobutylindole.
What is the SMILES notation for 2,6-ditert-butyl-1-cyclobutylindole?
The canonical SMILES for 2,6-ditert-butyl-1-cyclobutylindole is CC(C)(C)c1ccc2cc(C(C)(C)C)n(C3CCC3)c2c1.
What is the InChIKey of 2,6-ditert-butyl-1-cyclobutylindole?
The InChIKey is GJGRMNMTTHDFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-19(2,3)15-11-10-14-12-18(20(4,5)6)21(17(14)13-15)16-8-7-9-16/h10-13,16H,7-9H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-1-cyclobutylindole?
2,6-ditert-butyl-1-cyclobutylindole has a molecular weight of 283.46 g/mol, XLogP of 5.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1-cyclobutylindole is sourced from PubChem (CID 153429566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).