2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine

C18H33N — CID 10106828

IUPAC2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine
SMILESCCCCCC/C=C/C=C/CCC1CCCN1CC
InChIInChI=1S/C18H33N/c1-3-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(18)4-2/h9-12,18H,3-8,13-17H2,1-2H3/b10-9+,12-11+
InChIKeyHYHSNERERATHEB-HULFFUFUSA-N
MW263.47 g/mol
LogP5.33
Rot. Bonds10

About 2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine

2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine (PubChem CID 10106828) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine
PubChem CID10106828
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine
SMILESCCCCCC/C=C/C=C/CCC1CCCN1CC
InChIInChI=1S/C18H33N/c1-3-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(18)4-2/h9-12,18H,3-8,13-17H2,1-2H3/b10-9+,12-11+
InChIKeyHYHSNERERATHEB-HULFFUFUSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine?
The IUPAC name of 2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine (CID 10106828) is 2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine.
What is the SMILES notation for 2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine?
The canonical SMILES for 2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine is CCCCCC/C=C/C=C/CCC1CCCN1CC.
What is the InChIKey of 2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine?
The InChIKey is HYHSNERERATHEB-HULFFUFUSA-N. The full InChI is InChI=1S/C18H33N/c1-3-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(18)4-2/h9-12,18H,3-8,13-17H2,1-2H3/b10-9+,12-11+.
What are the key properties of 2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine?
2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine has a molecular weight of 263.47 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine is sourced from PubChem (CID 10106828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).