7-methyl-3-(4-methylcyclohexyl)-1H-indole

C16H21N — CID 106985057

IUPAC7-methyl-3-(4-methylcyclohexyl)-1H-indole
SMILESCc1cccc2c(C3CCC(C)CC3)c[nH]c12
InChIInChI=1S/C16H21N/c1-11-6-8-13(9-7-11)15-10-17-16-12(2)4-3-5-14(15)16/h3-5,10-11,13,17H,6-9H2,1-2H3
InChIKeyWTXBXKRSIPQKFN-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.77
Rot. Bonds1

About 7-methyl-3-(4-methylcyclohexyl)-1H-indole

7-methyl-3-(4-methylcyclohexyl)-1H-indole (PubChem CID 106985057) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 7-methyl-3-(4-methylcyclohexyl)-1H-indole.

Molecular Properties

Compound Name7-methyl-3-(4-methylcyclohexyl)-1H-indole
PubChem CID106985057
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name7-methyl-3-(4-methylcyclohexyl)-1H-indole
SMILESCc1cccc2c(C3CCC(C)CC3)c[nH]c12
InChIInChI=1S/C16H21N/c1-11-6-8-13(9-7-11)15-10-17-16-12(2)4-3-5-14(15)16/h3-5,10-11,13,17H,6-9H2,1-2H3
InChIKeyWTXBXKRSIPQKFN-UHFFFAOYSA-N
XLogP4.77
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-methylcyclohexyl)-1H-indole?
The IUPAC name of 7-methyl-3-(4-methylcyclohexyl)-1H-indole (CID 106985057) is 7-methyl-3-(4-methylcyclohexyl)-1H-indole.
What is the SMILES notation for 7-methyl-3-(4-methylcyclohexyl)-1H-indole?
The canonical SMILES for 7-methyl-3-(4-methylcyclohexyl)-1H-indole is Cc1cccc2c(C3CCC(C)CC3)c[nH]c12.
What is the InChIKey of 7-methyl-3-(4-methylcyclohexyl)-1H-indole?
The InChIKey is WTXBXKRSIPQKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-11-6-8-13(9-7-11)15-10-17-16-12(2)4-3-5-14(15)16/h3-5,10-11,13,17H,6-9H2,1-2H3.
What are the key properties of 7-methyl-3-(4-methylcyclohexyl)-1H-indole?
7-methyl-3-(4-methylcyclohexyl)-1H-indole has a molecular weight of 227.35 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-methylcyclohexyl)-1H-indole is sourced from PubChem (CID 106985057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).