2,2-dibutylindole

C16H23N — CID 151910527

IUPAC2,2-dibutylindole
SMILESCCCCC1(CCCC)C=c2ccccc2=N1
InChIInChI=1S/C16H23N/c1-3-5-11-16(12-6-4-2)13-14-9-7-8-10-15(14)17-16/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeySURBMGBPGJYLBG-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.22
Rot. Bonds6

About 2,2-dibutylindole

2,2-dibutylindole (PubChem CID 151910527) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2,2-dibutylindole.

Molecular Properties

Compound Name2,2-dibutylindole
PubChem CID151910527
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2,2-dibutylindole
SMILESCCCCC1(CCCC)C=c2ccccc2=N1
InChIInChI=1S/C16H23N/c1-3-5-11-16(12-6-4-2)13-14-9-7-8-10-15(14)17-16/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeySURBMGBPGJYLBG-UHFFFAOYSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibutylindole?
The IUPAC name of 2,2-dibutylindole (CID 151910527) is 2,2-dibutylindole.
What is the SMILES notation for 2,2-dibutylindole?
The canonical SMILES for 2,2-dibutylindole is CCCCC1(CCCC)C=c2ccccc2=N1.
What is the InChIKey of 2,2-dibutylindole?
The InChIKey is SURBMGBPGJYLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-5-11-16(12-6-4-2)13-14-9-7-8-10-15(14)17-16/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 2,2-dibutylindole?
2,2-dibutylindole has a molecular weight of 229.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutylindole is sourced from PubChem (CID 151910527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).