2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide

C9H20IN — CID 163682814

IUPAC2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide
SMILESCCC1(C)CCC(C)(C)N1.I
InChIInChI=1S/C9H19N.HI/c1-5-9(4)7-6-8(2,3)10-9;/h10H,5-7H2,1-4H3;1H
InChIKeyJMFSPASHHSITRD-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.94
Rot. Bonds1

About 2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide

2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide (PubChem CID 163682814) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide.

Molecular Properties

Compound Name2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide
PubChem CID163682814
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Name2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide
SMILESCCC1(C)CCC(C)(C)N1.I
InChIInChI=1S/C9H19N.HI/c1-5-9(4)7-6-8(2,3)10-9;/h10H,5-7H2,1-4H3;1H
InChIKeyJMFSPASHHSITRD-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.94
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-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide?
The IUPAC name of 2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide (CID 163682814) is 2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide.
What is the SMILES notation for 2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide?
The canonical SMILES for 2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide is CCC1(C)CCC(C)(C)N1.I.
What is the InChIKey of 2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide?
The InChIKey is JMFSPASHHSITRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.HI/c1-5-9(4)7-6-8(2,3)10-9;/h10H,5-7H2,1-4H3;1H.
What are the key properties of 2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide?
2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide has a molecular weight of 269.17 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5,5-trimethylpyrrolidine;hydroiodide is sourced from PubChem (CID 163682814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).