3,3-dimethylpyrrolidine;hydroiodide

C6H14IN — CID 173023387

IUPAC3,3-dimethylpyrrolidine;hydroiodide
SMILESCC1(C)CCNC1.I
InChIInChI=1S/C6H13N.HI/c1-6(2)3-4-7-5-6;/h7H,3-5H2,1-2H3;1H
InChIKeyAHVGGTZSILSNBZ-UHFFFAOYSA-N
MW227.09 g/mol
LogP1.62
Rot. Bonds

About 3,3-dimethylpyrrolidine;hydroiodide

3,3-dimethylpyrrolidine;hydroiodide (PubChem CID 173023387) has the molecular formula C6H14IN and a molecular weight of 227.09 g/mol. Its IUPAC name is 3,3-dimethylpyrrolidine;hydroiodide.

Molecular Properties

Compound Name3,3-dimethylpyrrolidine;hydroiodide
PubChem CID173023387
Molecular FormulaC6H14IN
Molecular Weight227.09 g/mol
Exact Mass227.02
IUPAC Name3,3-dimethylpyrrolidine;hydroiodide
SMILESCC1(C)CCNC1.I
InChIInChI=1S/C6H13N.HI/c1-6(2)3-4-7-5-6;/h7H,3-5H2,1-2H3;1H
InChIKeyAHVGGTZSILSNBZ-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 51.62
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 3,3-dimethylpyrrolidine;hydroiodide?
The IUPAC name of 3,3-dimethylpyrrolidine;hydroiodide (CID 173023387) is 3,3-dimethylpyrrolidine;hydroiodide.
What is the SMILES notation for 3,3-dimethylpyrrolidine;hydroiodide?
The canonical SMILES for 3,3-dimethylpyrrolidine;hydroiodide is CC1(C)CCNC1.I.
What is the InChIKey of 3,3-dimethylpyrrolidine;hydroiodide?
The InChIKey is AHVGGTZSILSNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.HI/c1-6(2)3-4-7-5-6;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 3,3-dimethylpyrrolidine;hydroiodide?
3,3-dimethylpyrrolidine;hydroiodide has a molecular weight of 227.09 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpyrrolidine;hydroiodide is sourced from PubChem (CID 173023387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).