2,6-di(propan-2-yl)-1H-indole

C14H19N — CID 59835911

IUPAC2,6-di(propan-2-yl)-1H-indole
SMILESCC(C)c1ccc2cc(C(C)C)[nH]c2c1
InChIInChI=1S/C14H19N/c1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11/h5-10,15H,1-4H3
InChIKeyVOHLSFJXHWRGSO-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.41
Rot. Bonds2

About 2,6-di(propan-2-yl)-1H-indole

2,6-di(propan-2-yl)-1H-indole (PubChem CID 59835911) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-1H-indole.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-1H-indole
PubChem CID59835911
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,6-di(propan-2-yl)-1H-indole
SMILESCC(C)c1ccc2cc(C(C)C)[nH]c2c1
InChIInChI=1S/C14H19N/c1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11/h5-10,15H,1-4H3
InChIKeyVOHLSFJXHWRGSO-UHFFFAOYSA-N
XLogP4.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-1H-indole?
The IUPAC name of 2,6-di(propan-2-yl)-1H-indole (CID 59835911) is 2,6-di(propan-2-yl)-1H-indole.
What is the SMILES notation for 2,6-di(propan-2-yl)-1H-indole?
The canonical SMILES for 2,6-di(propan-2-yl)-1H-indole is CC(C)c1ccc2cc(C(C)C)[nH]c2c1.
What is the InChIKey of 2,6-di(propan-2-yl)-1H-indole?
The InChIKey is VOHLSFJXHWRGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11/h5-10,15H,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-1H-indole?
2,6-di(propan-2-yl)-1H-indole has a molecular weight of 201.31 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-1H-indole is sourced from PubChem (CID 59835911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).