5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole

C18H29N — CID 70849952

IUPAC5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole
SMILESCCC1C=C2CCN(C3CCCC(CC)C3)C2=CC1
InChIInChI=1S/C18H29N/c1-3-14-6-5-7-17(13-14)19-11-10-16-12-15(4-2)8-9-18(16)19/h9,12,14-15,17H,3-8,10-11,13H2,1-2H3
InChIKeyNMEFUMKODDVNBN-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.90
Rot. Bonds3

About 5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole

5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole (PubChem CID 70849952) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole.

Molecular Properties

Compound Name5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole
PubChem CID70849952
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole
SMILESCCC1C=C2CCN(C3CCCC(CC)C3)C2=CC1
InChIInChI=1S/C18H29N/c1-3-14-6-5-7-17(13-14)19-11-10-16-12-15(4-2)8-9-18(16)19/h9,12,14-15,17H,3-8,10-11,13H2,1-2H3
InChIKeyNMEFUMKODDVNBN-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole?
The IUPAC name of 5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole (CID 70849952) is 5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole.
What is the SMILES notation for 5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole?
The canonical SMILES for 5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole is CCC1C=C2CCN(C3CCCC(CC)C3)C2=CC1.
What is the InChIKey of 5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole?
The InChIKey is NMEFUMKODDVNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-14-6-5-7-17(13-14)19-11-10-16-12-15(4-2)8-9-18(16)19/h9,12,14-15,17H,3-8,10-11,13H2,1-2H3.
What are the key properties of 5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole?
5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole has a molecular weight of 259.44 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole is sourced from PubChem (CID 70849952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).