3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite

C17H33IN2O2 — CID 167067655

IUPAC3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite
SMILESCN1CC[C@H](CCCOCCN2CC[C@@H](CCCOI)C2)C1
InChIInChI=1S/C17H33IN2O2/c1-19-8-6-16(14-19)4-2-11-21-13-10-20-9-7-17(15-20)5-3-12-22-18/h16-17H,2-15H2,1H3/t16-,17+/m0/s1
InChIKeyLJLFJVJFMOQJGZ-DLBZAZTESA-N
MW424.37 g/mol
LogP3.20
Rot. Bonds11

About 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite

3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite (PubChem CID 167067655) has the molecular formula C17H33IN2O2 and a molecular weight of 424.37 g/mol. Its IUPAC name is 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite.

Molecular Properties

Compound Name3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite
PubChem CID167067655
Molecular FormulaC17H33IN2O2
Molecular Weight424.37 g/mol
Exact Mass424.16
IUPAC Name3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite
SMILESCN1CC[C@H](CCCOCCN2CC[C@@H](CCCOI)C2)C1
InChIInChI=1S/C17H33IN2O2/c1-19-8-6-16(14-19)4-2-11-21-13-10-20-9-7-17(15-20)5-3-12-22-18/h16-17H,2-15H2,1H3/t16-,17+/m0/s1
InChIKeyLJLFJVJFMOQJGZ-DLBZAZTESA-N
XLogP3.20
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine
CID 153398953
3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine
CID 80691458
3-butyl-1-hexylpyrrolidine
CID 171570679
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 175626941
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
CID 114802487
3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite?
The IUPAC name of 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite (CID 167067655) is 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite.
What is the SMILES notation for 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite?
The canonical SMILES for 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite is CN1CC[C@H](CCCOCCN2CC[C@@H](CCCOI)C2)C1.
What is the InChIKey of 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite?
The InChIKey is LJLFJVJFMOQJGZ-DLBZAZTESA-N. The full InChI is InChI=1S/C17H33IN2O2/c1-19-8-6-16(14-19)4-2-11-21-13-10-20-9-7-17(15-20)5-3-12-22-18/h16-17H,2-15H2,1H3/t16-,17+/m0/s1.
What are the key properties of 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite?
3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite has a molecular weight of 424.37 g/mol, XLogP of 3.20, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite is sourced from PubChem (CID 167067655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).