2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine

C21H41NO — CID 155301829

IUPAC2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine
SMILESC=CCCCC(CCCC)OC(C)CCCC1CC(CC)CN1
InChIInChI=1S/C21H41NO/c1-5-8-10-15-21(14-9-6-2)23-18(4)12-11-13-20-16-19(7-3)17-22-20/h5,18-22H,1,6-17H2,2-4H3
InChIKeyJINRBJMYZWKTBT-UHFFFAOYSA-N
MW323.57 g/mol
LogP5.86
Rot. Bonds14

About 2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine

2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine (PubChem CID 155301829) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is 2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine.

Molecular Properties

Compound Name2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine
PubChem CID155301829
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine
SMILESC=CCCCC(CCCC)OC(C)CCCC1CC(CC)CN1
InChIInChI=1S/C21H41NO/c1-5-8-10-15-21(14-9-6-2)23-18(4)12-11-13-20-16-19(7-3)17-22-20/h5,18-22H,1,6-17H2,2-4H3
InChIKeyJINRBJMYZWKTBT-UHFFFAOYSA-N
XLogP5.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine?
The IUPAC name of 2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine (CID 155301829) is 2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine.
What is the SMILES notation for 2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine?
The canonical SMILES for 2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine is C=CCCCC(CCCC)OC(C)CCCC1CC(CC)CN1.
What is the InChIKey of 2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine?
The InChIKey is JINRBJMYZWKTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-5-8-10-15-21(14-9-6-2)23-18(4)12-11-13-20-16-19(7-3)17-22-20/h5,18-22H,1,6-17H2,2-4H3.
What are the key properties of 2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine?
2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine has a molecular weight of 323.57 g/mol, XLogP of 5.86, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine is sourced from PubChem (CID 155301829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).