3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine

C24H37N — CID 138507710

IUPAC3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine
SMILESCCC1CN(CCCC2=CCC(C)C=C2)CC1CCC1C=CC=CC1
InChIInChI=1S/C24H37N/c1-3-23-18-25(17-7-10-22-13-11-20(2)12-14-22)19-24(23)16-15-21-8-5-4-6-9-21/h4-6,8,11,13-14,20-21,23-24H,3,7,9-10,12,15-19H2,1-2H3
InChIKeyIAEJOOAVXFEJOB-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.16
Rot. Bonds8

About 3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine

3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine (PubChem CID 138507710) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is 3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine
PubChem CID138507710
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine
SMILESCCC1CN(CCCC2=CCC(C)C=C2)CC1CCC1C=CC=CC1
InChIInChI=1S/C24H37N/c1-3-23-18-25(17-7-10-22-13-11-20(2)12-14-22)19-24(23)16-15-21-8-5-4-6-9-21/h4-6,8,11,13-14,20-21,23-24H,3,7,9-10,12,15-19H2,1-2H3
InChIKeyIAEJOOAVXFEJOB-UHFFFAOYSA-N
XLogP6.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine?
The IUPAC name of 3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine (CID 138507710) is 3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine.
What is the SMILES notation for 3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine?
The canonical SMILES for 3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine is CCC1CN(CCCC2=CCC(C)C=C2)CC1CCC1C=CC=CC1.
What is the InChIKey of 3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine?
The InChIKey is IAEJOOAVXFEJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N/c1-3-23-18-25(17-7-10-22-13-11-20(2)12-14-22)19-24(23)16-15-21-8-5-4-6-9-21/h4-6,8,11,13-14,20-21,23-24H,3,7,9-10,12,15-19H2,1-2H3.
What are the key properties of 3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine?
3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine has a molecular weight of 339.57 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine is sourced from PubChem (CID 138507710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).