2,3,3,4,5,6,7-heptamethylindole

C15H21N — CID 12844902

IUPAC2,3,3,4,5,6,7-heptamethylindole
SMILESCC1=Nc2c(C)c(C)c(C)c(C)c2C1(C)C
InChIInChI=1S/C15H21N/c1-8-9(2)11(4)14-13(10(8)3)15(6,7)12(5)16-14/h1-7H3
InChIKeyFHFSSEHIULBZRK-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.30
Rot. Bonds

About 2,3,3,4,5,6,7-heptamethylindole

2,3,3,4,5,6,7-heptamethylindole (PubChem CID 12844902) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,3,3,4,5,6,7-heptamethylindole.

Molecular Properties

Compound Name2,3,3,4,5,6,7-heptamethylindole
PubChem CID12844902
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2,3,3,4,5,6,7-heptamethylindole
SMILESCC1=Nc2c(C)c(C)c(C)c(C)c2C1(C)C
InChIInChI=1S/C15H21N/c1-8-9(2)11(4)14-13(10(8)3)15(6,7)12(5)16-14/h1-7H3
InChIKeyFHFSSEHIULBZRK-UHFFFAOYSA-N
XLogP4.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,5,6,7-heptamethylindole?
The IUPAC name of 2,3,3,4,5,6,7-heptamethylindole (CID 12844902) is 2,3,3,4,5,6,7-heptamethylindole.
What is the SMILES notation for 2,3,3,4,5,6,7-heptamethylindole?
The canonical SMILES for 2,3,3,4,5,6,7-heptamethylindole is CC1=Nc2c(C)c(C)c(C)c(C)c2C1(C)C.
What is the InChIKey of 2,3,3,4,5,6,7-heptamethylindole?
The InChIKey is FHFSSEHIULBZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-8-9(2)11(4)14-13(10(8)3)15(6,7)12(5)16-14/h1-7H3.
What are the key properties of 2,3,3,4,5,6,7-heptamethylindole?
2,3,3,4,5,6,7-heptamethylindole has a molecular weight of 215.34 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5,6,7-heptamethylindole is sourced from PubChem (CID 12844902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).