7-methyl-3-(2-methylpentan-3-yl)-1H-indole

C15H21N — CID 106985199

IUPAC7-methyl-3-(2-methylpentan-3-yl)-1H-indole
SMILESCCC(c1c[nH]c2c(C)cccc12)C(C)C
InChIInChI=1S/C15H21N/c1-5-12(10(2)3)14-9-16-15-11(4)7-6-8-13(14)15/h6-10,12,16H,5H2,1-4H3
InChIKeyVZHNHAGRPBFWHI-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.63
Rot. Bonds3

About 7-methyl-3-(2-methylpentan-3-yl)-1H-indole

7-methyl-3-(2-methylpentan-3-yl)-1H-indole (PubChem CID 106985199) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 7-methyl-3-(2-methylpentan-3-yl)-1H-indole.

Molecular Properties

Compound Name7-methyl-3-(2-methylpentan-3-yl)-1H-indole
PubChem CID106985199
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name7-methyl-3-(2-methylpentan-3-yl)-1H-indole
SMILESCCC(c1c[nH]c2c(C)cccc12)C(C)C
InChIInChI=1S/C15H21N/c1-5-12(10(2)3)14-9-16-15-11(4)7-6-8-13(14)15/h6-10,12,16H,5H2,1-4H3
InChIKeyVZHNHAGRPBFWHI-UHFFFAOYSA-N
XLogP4.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-chloro-3-(2-methylpentan-3-yl)-1H-indole
CID 106985200
7-bromo-3-(2-methylpentan-3-yl)-1H-indole
CID 106985203
2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid
CID 135375085
2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid
CID 135374820
7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
CID 144940831
4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol
CID 76846681
N-methyl-3-(7-methyl-1H-indol-3-yl)-3-phenylpropan-1-amine
CID 58088625
3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole
CID 174363711
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium
CID 170598949
3-(ethoxymethyl)-7-methyl-1H-indole
CID 117186252
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide
CID 170339447
3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole
CID 90957082

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methylpentan-3-yl)-1H-indole?
The IUPAC name of 7-methyl-3-(2-methylpentan-3-yl)-1H-indole (CID 106985199) is 7-methyl-3-(2-methylpentan-3-yl)-1H-indole.
What is the SMILES notation for 7-methyl-3-(2-methylpentan-3-yl)-1H-indole?
The canonical SMILES for 7-methyl-3-(2-methylpentan-3-yl)-1H-indole is CCC(c1c[nH]c2c(C)cccc12)C(C)C.
What is the InChIKey of 7-methyl-3-(2-methylpentan-3-yl)-1H-indole?
The InChIKey is VZHNHAGRPBFWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-5-12(10(2)3)14-9-16-15-11(4)7-6-8-13(14)15/h6-10,12,16H,5H2,1-4H3.
What are the key properties of 7-methyl-3-(2-methylpentan-3-yl)-1H-indole?
7-methyl-3-(2-methylpentan-3-yl)-1H-indole has a molecular weight of 215.34 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methylpentan-3-yl)-1H-indole is sourced from PubChem (CID 106985199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).