3-iodo-2,2,5,5-tetramethylpyrrolidine

C8H16IN — CID 20671068

IUPAC3-iodo-2,2,5,5-tetramethylpyrrolidine
SMILESCC1(C)CC(I)C(C)(C)N1
InChIInChI=1S/C8H16IN/c1-7(2)5-6(9)8(3,4)10-7/h6,10H,5H2,1-4H3
InChIKeyDDDFFMIZGDPPKK-UHFFFAOYSA-N
MW253.13 g/mol
LogP2.34
Rot. Bonds

About 3-iodo-2,2,5,5-tetramethylpyrrolidine

3-iodo-2,2,5,5-tetramethylpyrrolidine (PubChem CID 20671068) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is 3-iodo-2,2,5,5-tetramethylpyrrolidine.

Molecular Properties

Compound Name3-iodo-2,2,5,5-tetramethylpyrrolidine
PubChem CID20671068
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name3-iodo-2,2,5,5-tetramethylpyrrolidine
SMILESCC1(C)CC(I)C(C)(C)N1
InChIInChI=1S/C8H16IN/c1-7(2)5-6(9)8(3,4)10-7/h6,10H,5H2,1-4H3
InChIKeyDDDFFMIZGDPPKK-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,5,5-Tetramethylpyrrolidine
CID 78320
Pyrrolidine,2,2,5,5-tetramethyl-, hydrochloride (1:1)
CID 3014298
2,2,5,5-Tetramethylpyrrolidinium chloride
CID 44152073
Ethane;2,2,5,5-tetramethylpyrrolidine
CID 144008191
Propane;2,2,5,5-tetramethylpyrrolidine
CID 144679522
2,2,5,5-Tetraethylpyrrolidine;hydroiodide
CID 158002768
2,2,3,4,5,5-Hexamethylpyrrolidine;hydroiodide
CID 163511383
N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine
CID 163579822
2-Ethyl-2,5,5-trimethylpyrrolidine;hydroiodide
CID 163682814
Lithium;hydride;2,2,5,5-tetramethylpyrrolidine
CID 173054121
2,2,5,5-Tetramethylpyrrolidine;hydrate
CID 174311218

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2,2,5,5-tetramethylpyrrolidine?
The IUPAC name of 3-iodo-2,2,5,5-tetramethylpyrrolidine (CID 20671068) is 3-iodo-2,2,5,5-tetramethylpyrrolidine.
What is the SMILES notation for 3-iodo-2,2,5,5-tetramethylpyrrolidine?
The canonical SMILES for 3-iodo-2,2,5,5-tetramethylpyrrolidine is CC1(C)CC(I)C(C)(C)N1.
What is the InChIKey of 3-iodo-2,2,5,5-tetramethylpyrrolidine?
The InChIKey is DDDFFMIZGDPPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16IN/c1-7(2)5-6(9)8(3,4)10-7/h6,10H,5H2,1-4H3.
What are the key properties of 3-iodo-2,2,5,5-tetramethylpyrrolidine?
3-iodo-2,2,5,5-tetramethylpyrrolidine has a molecular weight of 253.13 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2,2,5,5-tetramethylpyrrolidine is sourced from PubChem (CID 20671068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).