5,7-dimethyl-3-(2-methylpentyl)-1H-indole

C16H23N — CID 106985356

IUPAC5,7-dimethyl-3-(2-methylpentyl)-1H-indole
SMILESCCCC(C)Cc1c[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C16H23N/c1-5-6-11(2)8-14-10-17-16-13(4)7-12(3)9-15(14)16/h7,9-11,17H,5-6,8H2,1-4H3
InChIKeyZJXCEMCUXRVJTH-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.76
Rot. Bonds4

About 5,7-dimethyl-3-(2-methylpentyl)-1H-indole

5,7-dimethyl-3-(2-methylpentyl)-1H-indole (PubChem CID 106985356) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 5,7-dimethyl-3-(2-methylpentyl)-1H-indole.

Molecular Properties

Compound Name5,7-dimethyl-3-(2-methylpentyl)-1H-indole
PubChem CID106985356
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name5,7-dimethyl-3-(2-methylpentyl)-1H-indole
SMILESCCCC(C)Cc1c[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C16H23N/c1-5-6-11(2)8-14-10-17-16-13(4)7-12(3)9-15(14)16/h7,9-11,17H,5-6,8H2,1-4H3
InChIKeyZJXCEMCUXRVJTH-UHFFFAOYSA-N
XLogP4.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(2-methylpentyl)-1H-indole?
The IUPAC name of 5,7-dimethyl-3-(2-methylpentyl)-1H-indole (CID 106985356) is 5,7-dimethyl-3-(2-methylpentyl)-1H-indole.
What is the SMILES notation for 5,7-dimethyl-3-(2-methylpentyl)-1H-indole?
The canonical SMILES for 5,7-dimethyl-3-(2-methylpentyl)-1H-indole is CCCC(C)Cc1c[nH]c2c(C)cc(C)cc12.
What is the InChIKey of 5,7-dimethyl-3-(2-methylpentyl)-1H-indole?
The InChIKey is ZJXCEMCUXRVJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-5-6-11(2)8-14-10-17-16-13(4)7-12(3)9-15(14)16/h7,9-11,17H,5-6,8H2,1-4H3.
What are the key properties of 5,7-dimethyl-3-(2-methylpentyl)-1H-indole?
5,7-dimethyl-3-(2-methylpentyl)-1H-indole has a molecular weight of 229.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(2-methylpentyl)-1H-indole is sourced from PubChem (CID 106985356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).