2-(5-cyclohexyl-1H-indol-3-yl)ethanamine

C16H22N2 — CID 4202024

IUPAC2-(5-cyclohexyl-1H-indol-3-yl)ethanamine
SMILESNCCc1c[nH]c2ccc(C3CCCCC3)cc12
InChIInChI=1S/C16H22N2/c17-9-8-14-11-18-16-7-6-13(10-15(14)16)12-4-2-1-3-5-12/h6-7,10-12,18H,1-5,8-9,17H2
InChIKeyRJUVCCRVXSXQIK-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.72
Rot. Bonds3

About 2-(5-cyclohexyl-1H-indol-3-yl)ethanamine

2-(5-cyclohexyl-1H-indol-3-yl)ethanamine (PubChem CID 4202024) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(5-cyclohexyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-cyclohexyl-1H-indol-3-yl)ethanamine
PubChem CID4202024
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-(5-cyclohexyl-1H-indol-3-yl)ethanamine
SMILESNCCc1c[nH]c2ccc(C3CCCCC3)cc12
InChIInChI=1S/C16H22N2/c17-9-8-14-11-18-16-7-6-13(10-15(14)16)12-4-2-1-3-5-12/h6-7,10-12,18H,1-5,8-9,17H2
InChIKeyRJUVCCRVXSXQIK-UHFFFAOYSA-N
XLogP3.72
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-cyclohexyl-1H-indol-3-yl)ethanamine (CID 4202024) is 2-(5-cyclohexyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-cyclohexyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-cyclohexyl-1H-indol-3-yl)ethanamine is NCCc1c[nH]c2ccc(C3CCCCC3)cc12.
What is the InChIKey of 2-(5-cyclohexyl-1H-indol-3-yl)ethanamine?
The InChIKey is RJUVCCRVXSXQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c17-9-8-14-11-18-16-7-6-13(10-15(14)16)12-4-2-1-3-5-12/h6-7,10-12,18H,1-5,8-9,17H2.
What are the key properties of 2-(5-cyclohexyl-1H-indol-3-yl)ethanamine?
2-(5-cyclohexyl-1H-indol-3-yl)ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 4202024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).