5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole

C18H27N — CID 70849848

IUPAC5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole
SMILESCCC1C=c2ccn(C3CCCC(CC)C3)c2=CC1
InChIInChI=1S/C18H27N/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,3-8,13H2,1-2H3
InChIKeyPJLDDXPPGMVXAV-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.62
Rot. Bonds3

About 5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole

5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole (PubChem CID 70849848) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole.

Molecular Properties

Compound Name5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole
PubChem CID70849848
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole
SMILESCCC1C=c2ccn(C3CCCC(CC)C3)c2=CC1
InChIInChI=1S/C18H27N/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,3-8,13H2,1-2H3
InChIKeyPJLDDXPPGMVXAV-UHFFFAOYSA-N
XLogP3.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.62
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)-5,6-dihydroindole?
The IUPAC name of 5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole (CID 70849848) is 5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole.
What is the SMILES notation for 5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole?
The canonical SMILES for 5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole is CCC1C=c2ccn(C3CCCC(CC)C3)c2=CC1.
What is the InChIKey of 5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole?
The InChIKey is PJLDDXPPGMVXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/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,3-8,13H2,1-2H3.
What are the key properties of 5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole?
5-ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole has a molecular weight of 257.42 g/mol, XLogP of 3.62, 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)-5,6-dihydroindole is sourced from PubChem (CID 70849848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).