1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine

C13H23N — CID 165368264

IUPAC1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine
SMILESCC(C)=CCC/C(C)=C/N1CCCC1
InChIInChI=1S/C13H23N/c1-12(2)7-6-8-13(3)11-14-9-4-5-10-14/h7,11H,4-6,8-10H2,1-3H3/b13-11+
InChIKeyQWYCGMKNHLLJAE-ACCUITESSA-N
MW193.33 g/mol
LogP3.73
Rot. Bonds4

About 1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine

1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine (PubChem CID 165368264) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine
PubChem CID165368264
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine
SMILESCC(C)=CCC/C(C)=C/N1CCCC1
InChIInChI=1S/C13H23N/c1-12(2)7-6-8-13(3)11-14-9-4-5-10-14/h7,11H,4-6,8-10H2,1-3H3/b13-11+
InChIKeyQWYCGMKNHLLJAE-ACCUITESSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine?
The IUPAC name of 1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine (CID 165368264) is 1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine?
The canonical SMILES for 1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine is CC(C)=CCC/C(C)=C/N1CCCC1.
What is the InChIKey of 1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine?
The InChIKey is QWYCGMKNHLLJAE-ACCUITESSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2)7-6-8-13(3)11-14-9-4-5-10-14/h7,11H,4-6,8-10H2,1-3H3/b13-11+.
What are the key properties of 1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine?
1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-2,6-dimethylhepta-1,5-dienyl]pyrrolidine is sourced from PubChem (CID 165368264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).