1-methyl-3-(4-methylpentan-2-yl)indole

C15H21N — CID 129132134

IUPAC1-methyl-3-(4-methylpentan-2-yl)indole
SMILESCC(C)CC(C)c1cn(C)c2ccccc12
InChIInChI=1S/C15H21N/c1-11(2)9-12(3)14-10-16(4)15-8-6-5-7-13(14)15/h5-8,10-12H,9H2,1-4H3
InChIKeyUZSAZZKDVBAYEU-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.33
Rot. Bonds3

About 1-methyl-3-(4-methylpentan-2-yl)indole

1-methyl-3-(4-methylpentan-2-yl)indole (PubChem CID 129132134) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpentan-2-yl)indole.

Molecular Properties

Compound Name1-methyl-3-(4-methylpentan-2-yl)indole
PubChem CID129132134
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-methyl-3-(4-methylpentan-2-yl)indole
SMILESCC(C)CC(C)c1cn(C)c2ccccc12
InChIInChI=1S/C15H21N/c1-11(2)9-12(3)14-10-16(4)15-8-6-5-7-13(14)15/h5-8,10-12H,9H2,1-4H3
InChIKeyUZSAZZKDVBAYEU-UHFFFAOYSA-N
XLogP4.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpentan-2-yl)indole?
The IUPAC name of 1-methyl-3-(4-methylpentan-2-yl)indole (CID 129132134) is 1-methyl-3-(4-methylpentan-2-yl)indole.
What is the SMILES notation for 1-methyl-3-(4-methylpentan-2-yl)indole?
The canonical SMILES for 1-methyl-3-(4-methylpentan-2-yl)indole is CC(C)CC(C)c1cn(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-(4-methylpentan-2-yl)indole?
The InChIKey is UZSAZZKDVBAYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11(2)9-12(3)14-10-16(4)15-8-6-5-7-13(14)15/h5-8,10-12H,9H2,1-4H3.
What are the key properties of 1-methyl-3-(4-methylpentan-2-yl)indole?
1-methyl-3-(4-methylpentan-2-yl)indole has a molecular weight of 215.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpentan-2-yl)indole is sourced from PubChem (CID 129132134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).