1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine

C14H25N — CID 137309182

IUPAC1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine
SMILESCC(C)=CCCC(C)/C=C/N1CCCC1
InChIInChI=1S/C14H25N/c1-13(2)7-6-8-14(3)9-12-15-10-4-5-11-15/h7,9,12,14H,4-6,8,10-11H2,1-3H3/b12-9+
InChIKeyYDEQPCORZDHUKA-FMIVXFBMSA-N
MW207.36 g/mol
LogP3.98
Rot. Bonds5

About 1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine

1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine (PubChem CID 137309182) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine
PubChem CID137309182
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine
SMILESCC(C)=CCCC(C)/C=C/N1CCCC1
InChIInChI=1S/C14H25N/c1-13(2)7-6-8-14(3)9-12-15-10-4-5-11-15/h7,9,12,14H,4-6,8,10-11H2,1-3H3/b12-9+
InChIKeyYDEQPCORZDHUKA-FMIVXFBMSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.98
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)-3,7-dimethylocta-1,6-dienyl]pyrrolidine?
The IUPAC name of 1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine (CID 137309182) is 1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine?
The canonical SMILES for 1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine is CC(C)=CCCC(C)/C=C/N1CCCC1.
What is the InChIKey of 1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine?
The InChIKey is YDEQPCORZDHUKA-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H25N/c1-13(2)7-6-8-14(3)9-12-15-10-4-5-11-15/h7,9,12,14H,4-6,8,10-11H2,1-3H3/b12-9+.
What are the key properties of 1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine?
1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine is sourced from PubChem (CID 137309182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).