2-iodo-4,4-dimethylpyrrolidine

C6H12IN — CID 163758575

IUPAC2-iodo-4,4-dimethylpyrrolidine
SMILESCC1(C)CNC(I)C1
InChIInChI=1S/C6H12IN/c1-6(2)3-5(7)8-4-6/h5,8H,3-4H2,1-2H3
InChIKeyLWEPHJBPQFEBLM-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.77
Rot. Bonds

About 2-iodo-4,4-dimethylpyrrolidine

2-iodo-4,4-dimethylpyrrolidine (PubChem CID 163758575) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is 2-iodo-4,4-dimethylpyrrolidine.

Molecular Properties

Compound Name2-iodo-4,4-dimethylpyrrolidine
PubChem CID163758575
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name2-iodo-4,4-dimethylpyrrolidine
SMILESCC1(C)CNC(I)C1
InChIInChI=1S/C6H12IN/c1-6(2)3-5(7)8-4-6/h5,8H,3-4H2,1-2H3
InChIKeyLWEPHJBPQFEBLM-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.77
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

7-iodo-5,5-dimethyl-1,4-diazepane
CID 144511430
ethane;propane;2,4,4-trimethylpyrrolidine
CID 144594134
2-cyclopentyl-4,4-dimethylpyrrolidine
CID 138485504
3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane
CID 174319212
(4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 160776877
(4aR,8aS)-3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline;sulfane
CID 159381950
3-iodo-2,2,5,5-tetramethylpyrrolidine
CID 20671068
[(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate
CID 118180473
(2S)-2-iodoaziridine
CID 89376361
N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 176601232
(1R)-1-fluoro-2-iodo-1-methylcyclopropane
CID 131968252
6,6-dimethyl-2-propyl-1,4-diazepane
CID 67417881

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,4-dimethylpyrrolidine?
The IUPAC name of 2-iodo-4,4-dimethylpyrrolidine (CID 163758575) is 2-iodo-4,4-dimethylpyrrolidine.
What is the SMILES notation for 2-iodo-4,4-dimethylpyrrolidine?
The canonical SMILES for 2-iodo-4,4-dimethylpyrrolidine is CC1(C)CNC(I)C1.
What is the InChIKey of 2-iodo-4,4-dimethylpyrrolidine?
The InChIKey is LWEPHJBPQFEBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN/c1-6(2)3-5(7)8-4-6/h5,8H,3-4H2,1-2H3.
What are the key properties of 2-iodo-4,4-dimethylpyrrolidine?
2-iodo-4,4-dimethylpyrrolidine has a molecular weight of 225.07 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,4-dimethylpyrrolidine is sourced from PubChem (CID 163758575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).