1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine

C14H27N — CID 146324127

IUPAC1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine
SMILESCC(C)(C)/C=C/C(C)(C)CN1CCCC1
InChIInChI=1S/C14H27N/c1-13(2,3)8-9-14(4,5)12-15-10-6-7-11-15/h8-9H,6-7,10-12H2,1-5H3/b9-8+
InChIKeyWWLIZZZAHYQFKS-CMDGGOBGSA-N
MW209.38 g/mol
LogP3.71
Rot. Bonds3

About 1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine

1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine (PubChem CID 146324127) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine
PubChem CID146324127
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine
SMILESCC(C)(C)/C=C/C(C)(C)CN1CCCC1
InChIInChI=1S/C14H27N/c1-13(2,3)8-9-14(4,5)12-15-10-6-7-11-15/h8-9H,6-7,10-12H2,1-5H3/b9-8+
InChIKeyWWLIZZZAHYQFKS-CMDGGOBGSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine (CID 146324127) is 1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine is CC(C)(C)/C=C/C(C)(C)CN1CCCC1.
What is the InChIKey of 1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine?
The InChIKey is WWLIZZZAHYQFKS-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H27N/c1-13(2,3)8-9-14(4,5)12-15-10-6-7-11-15/h8-9H,6-7,10-12H2,1-5H3/b9-8+.
What are the key properties of 1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine?
1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,2,5,5-tetramethylhex-3-enyl]pyrrolidine is sourced from PubChem (CID 146324127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).