2-methyl-5-(3-methylbutyl)-1H-indole

C14H19N — CID 135233610

IUPAC2-methyl-5-(3-methylbutyl)-1H-indole
SMILESCc1cc2cc(CCC(C)C)ccc2[nH]1
InChIInChI=1S/C14H19N/c1-10(2)4-5-12-6-7-14-13(9-12)8-11(3)15-14/h6-10,15H,4-5H2,1-3H3
InChIKeySYFTVHPLEOWJRC-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.06
Rot. Bonds3

About 2-methyl-5-(3-methylbutyl)-1H-indole

2-methyl-5-(3-methylbutyl)-1H-indole (PubChem CID 135233610) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-5-(3-methylbutyl)-1H-indole.

Molecular Properties

Compound Name2-methyl-5-(3-methylbutyl)-1H-indole
PubChem CID135233610
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-methyl-5-(3-methylbutyl)-1H-indole
SMILESCc1cc2cc(CCC(C)C)ccc2[nH]1
InChIInChI=1S/C14H19N/c1-10(2)4-5-12-6-7-14-13(9-12)8-11(3)15-14/h6-10,15H,4-5H2,1-3H3
InChIKeySYFTVHPLEOWJRC-UHFFFAOYSA-N
XLogP4.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylbutyl)-1H-indole?
The IUPAC name of 2-methyl-5-(3-methylbutyl)-1H-indole (CID 135233610) is 2-methyl-5-(3-methylbutyl)-1H-indole.
What is the SMILES notation for 2-methyl-5-(3-methylbutyl)-1H-indole?
The canonical SMILES for 2-methyl-5-(3-methylbutyl)-1H-indole is Cc1cc2cc(CCC(C)C)ccc2[nH]1.
What is the InChIKey of 2-methyl-5-(3-methylbutyl)-1H-indole?
The InChIKey is SYFTVHPLEOWJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10(2)4-5-12-6-7-14-13(9-12)8-11(3)15-14/h6-10,15H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-(3-methylbutyl)-1H-indole?
2-methyl-5-(3-methylbutyl)-1H-indole has a molecular weight of 201.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylbutyl)-1H-indole is sourced from PubChem (CID 135233610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).