2,2,5,5-tetraethylpyrrolidine;hydroiodide

C12H26IN — CID 158002768

IUPAC2,2,5,5-tetraethylpyrrolidine;hydroiodide
SMILESCCC1(CC)CCC(CC)(CC)N1.I
InChIInChI=1S/C12H25N.HI/c1-5-11(6-2)9-10-12(7-3,8-4)13-11;/h13H,5-10H2,1-4H3;1H
InChIKeyFDXUPTBWDFUIAD-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.11
Rot. Bonds4

About 2,2,5,5-tetraethylpyrrolidine;hydroiodide

2,2,5,5-tetraethylpyrrolidine;hydroiodide (PubChem CID 158002768) has the molecular formula C12H26IN and a molecular weight of 311.25 g/mol. Its IUPAC name is 2,2,5,5-tetraethylpyrrolidine;hydroiodide.

Molecular Properties

Compound Name2,2,5,5-tetraethylpyrrolidine;hydroiodide
PubChem CID158002768
Molecular FormulaC12H26IN
Molecular Weight311.25 g/mol
Exact Mass311.11
IUPAC Name2,2,5,5-tetraethylpyrrolidine;hydroiodide
SMILESCCC1(CC)CCC(CC)(CC)N1.I
InChIInChI=1S/C12H25N.HI/c1-5-11(6-2)9-10-12(7-3,8-4)13-11;/h13H,5-10H2,1-4H3;1H
InChIKeyFDXUPTBWDFUIAD-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetraethylpyrrolidine;hydroiodide?
The IUPAC name of 2,2,5,5-tetraethylpyrrolidine;hydroiodide (CID 158002768) is 2,2,5,5-tetraethylpyrrolidine;hydroiodide.
What is the SMILES notation for 2,2,5,5-tetraethylpyrrolidine;hydroiodide?
The canonical SMILES for 2,2,5,5-tetraethylpyrrolidine;hydroiodide is CCC1(CC)CCC(CC)(CC)N1.I.
What is the InChIKey of 2,2,5,5-tetraethylpyrrolidine;hydroiodide?
The InChIKey is FDXUPTBWDFUIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.HI/c1-5-11(6-2)9-10-12(7-3,8-4)13-11;/h13H,5-10H2,1-4H3;1H.
What are the key properties of 2,2,5,5-tetraethylpyrrolidine;hydroiodide?
2,2,5,5-tetraethylpyrrolidine;hydroiodide has a molecular weight of 311.25 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetraethylpyrrolidine;hydroiodide is sourced from PubChem (CID 158002768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).