2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine

C16H27N — CID 123503699

IUPAC2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine
SMILESCC=CC=C(CC)C(=CC)N1CCCC1CC
InChIInChI=1S/C16H27N/c1-5-9-11-14(6-2)16(8-4)17-13-10-12-15(17)7-3/h5,8-9,11,15H,6-7,10,12-13H2,1-4H3
InChIKeyFRFBRSAZJGHLLW-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.68
Rot. Bonds5

About 2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine

2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine (PubChem CID 123503699) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine
PubChem CID123503699
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine
SMILESCC=CC=C(CC)C(=CC)N1CCCC1CC
InChIInChI=1S/C16H27N/c1-5-9-11-14(6-2)16(8-4)17-13-10-12-15(17)7-3/h5,8-9,11,15H,6-7,10,12-13H2,1-4H3
InChIKeyFRFBRSAZJGHLLW-UHFFFAOYSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine?
The IUPAC name of 2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine (CID 123503699) is 2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine.
What is the SMILES notation for 2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine?
The canonical SMILES for 2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine is CC=CC=C(CC)C(=CC)N1CCCC1CC.
What is the InChIKey of 2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine?
The InChIKey is FRFBRSAZJGHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-9-11-14(6-2)16(8-4)17-13-10-12-15(17)7-3/h5,8-9,11,15H,6-7,10,12-13H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine?
2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine has a molecular weight of 233.40 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine is sourced from PubChem (CID 123503699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).