Cas no 1310732-23-0 (N,3-Dimethyloxetan-3-amine)

N,3-Dimethyloxetan-3-amine is a versatile heterocyclic amine featuring an oxetane ring, which imparts unique steric and electronic properties. The compound's rigid oxetane scaffold enhances metabolic stability while the dimethylamine substituent offers reactivity for further functionalization. Its compact, polar structure makes it valuable in medicinal chemistry as a bioisostere for improving solubility and pharmacokinetic profiles. The strained oxetane ring also facilitates ring-opening reactions, enabling applications in polymer chemistry and material science. This compound is particularly useful in the synthesis of pharmaceuticals, agrochemicals, and specialty materials, where its balanced lipophilicity and stability are advantageous. Proper handling under inert conditions is recommended due to potential sensitivity.
N,3-Dimethyloxetan-3-amine structure
N,3-Dimethyloxetan-3-amine structure
Product Name:N,3-Dimethyloxetan-3-amine
CAS No:1310732-23-0
MF:C5H11NO
MW:101.146941423416
MDL:MFCD26959159
CID:2854908
PubChem ID:56965681
Update Time:2025-10-22

N,3-Dimethyloxetan-3-amine Chemical and Physical Properties

Names and Identifiers

    • N,3-dimethyloxetan-3-amine
    • N,3-Dimethyl-3-oxetanamine
    • 3-Oxetanamine, N,3-dimethyl-
    • MFCD21602208
    • EN300-7253007
    • 1310732-23-0
    • SY103468
    • AS-34822
    • MFCD26959159
    • CS-0045413
    • SCHEMBL5767924
    • SY100072
    • AKOS023200073
    • N,3-Dimethyloxetan-3-amine
    • MDL: MFCD26959159
    • Inchi: 1S/C5H11NO/c1-5(6-2)3-7-4-5/h6H,3-4H2,1-2H3
    • InChI Key: XAEZCKXASAEYST-UHFFFAOYSA-N
    • SMILES: O1CC(C)(C1)NC

Computed Properties

  • Exact Mass: g/mol
  • Monoisotopic Mass: g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 68.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: g/mol
  • XLogP3: -0.3
  • Topological Polar Surface Area: 21.3

Experimental Properties

  • Melting Point: NA

N,3-Dimethyloxetan-3-amine Security Information

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Additional information on N,3-Dimethyloxetan-3-amine

Research Brief on N,3-Dimethyloxetan-3-amine (CAS: 1310732-23-0) in Chemical Biology and Pharmaceutical Applications

N,3-Dimethyloxetan-3-amine (CAS: 1310732-23-0) has recently emerged as a compound of significant interest in chemical biology and pharmaceutical research. This small, strained heterocyclic amine is being explored for its unique physicochemical properties and potential applications in drug discovery, particularly as a building block for novel bioactive molecules. Recent studies highlight its utility in modulating pharmacokinetic properties and enhancing target engagement.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the incorporation of N,3-Dimethyloxetan-3-amine into kinase inhibitors, resulting in improved metabolic stability and blood-brain barrier penetration. The oxetane ring's constrained geometry and the amine's basicity contribute to these enhanced properties. Researchers observed a 3-fold increase in half-life compared to non-oxetane analogs in preclinical models, suggesting its value in CNS-targeted therapeutics.

In synthetic chemistry applications, N,3-Dimethyloxetan-3-amine has shown promise as a versatile intermediate. A recent Nature Communications paper detailed its use in [3+2] cycloaddition reactions to construct complex polycyclic frameworks. The compound's strain energy (approximately 26 kcal/mol) facilitates ring-opening reactions while maintaining good stability under physiological conditions, making it particularly valuable for bioconjugation strategies.

From a safety perspective, preliminary toxicological assessments indicate that N,3-Dimethyloxetan-3-amine exhibits favorable in vitro safety profiles. A 2024 study in Chemical Research in Toxicology reported no significant cytotoxicity up to 100 μM in hepatocyte assays, though researchers note the need for more comprehensive in vivo evaluation. The compound's metabolic pathways appear to involve primarily CYP3A4-mediated oxidation.

Current challenges in working with N,3-Dimethyloxetan-3-amine include its limited commercial availability and the need for optimized synthetic routes. Recent process chemistry developments have achieved a 45% overall yield in a three-step synthesis from commercially available starting materials, as described in a 2023 Organic Process Research & Development publication. Scale-up efforts are ongoing at several pharmaceutical development facilities.

Looking forward, N,3-Dimethyloxetan-3-amine represents an exciting scaffold for fragment-based drug discovery. Its combination of polarity (cLogP ~0.5), aqueous solubility (>50 mg/mL), and three-dimensional character addresses several contemporary challenges in lead optimization. Several pharmaceutical companies have included derivatives of this compound in their preclinical pipelines, particularly for CNS and anti-infective applications.

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