Cas no 796963-33-2 (3-methylbicyclo[1.1.1]pentan-1-amine)

3-Methylbicyclo[1.1.1]pentan-1-amine is a structurally unique amine characterized by its rigid bicyclo[1.1.1]pentane scaffold, which imparts high steric hindrance and metabolic stability. This compound is of significant interest in medicinal chemistry and drug discovery due to its potential as a bioisostere for traditional amine functionalities, offering improved pharmacokinetic properties. The methyl substitution at the 3-position further enhances its lipophilicity and steric profile, making it valuable for modulating drug-target interactions. Its compact, three-dimensional structure also facilitates exploration of novel chemical space in small-molecule design. The compound is typically utilized as a building block in the synthesis of pharmaceuticals and agrochemicals, where its constrained geometry can influence binding affinity and selectivity.
3-methylbicyclo[1.1.1]pentan-1-amine structure
796963-33-2 structure
Product Name:3-methylbicyclo[1.1.1]pentan-1-amine
CAS No:796963-33-2
MF:C6H11N
MW:97.1582415103912
MDL:MFCD27987229
CID:3395245
PubChem ID:86010395
Update Time:2025-05-27

3-methylbicyclo[1.1.1]pentan-1-amine Chemical and Physical Properties

Names and Identifiers

    • BICYCLO[1.1.1]PENTAN-1-AMINE, 3-METHYL-
    • 3-methylbicyclo[1.1.1]pentan-1-amine
    • 3-Methyl-bicyclo[1.1.1]pent-1-ylamine
    • EN300-27693635
    • 796963-33-2
    • EN300-1267193
    • MDL： MFCD27987229
    • Inchi： 1S/C6H11N/c1-5-2-6(7,3-5)4-5/h2-4,7H2,1H3
    • InChI Key： CMLXTYOTLRJVJX-UHFFFAOYSA-N
    • SMILES： C12(N)CC(C)(C1)C2

Computed Properties

  • Exact Mass: 97.089149355Da
  • Monoisotopic Mass: 97.089149355Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 97.6
  • 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
  • XLogP3: 0.4
  • Topological Polar Surface Area: 26?2

3-methylbicyclo[1.1.1]pentan-1-amine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1267193-1g
3-methylbicyclo[1.1.1]pentan-1-amine
 796963-33-2
1g
 $981.0 2023-09-10
Enamine
EN300-1267193-5g
3-methylbicyclo[1.1.1]pentan-1-amine
 796963-33-2
5g
 $2920.0 2023-09-10
Enamine
EN300-1267193-10g
3-methylbicyclo[1.1.1]pentan-1-amine
 796963-33-2
10g
 $4860.0 2023-09-10
Chemenu
CM431956-100mg
3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
 796963-33-2 95%+
100mg
 $2730 2024-07-23
Enamine
EN300-1267193-50mg
3-methylbicyclo[1.1.1]pentan-1-amine
 796963-33-2
50mg
 $824.0 2023-10-02
Enamine
EN300-1267193-100mg
3-methylbicyclo[1.1.1]pentan-1-amine
 796963-33-2
100mg
 $863.0 2023-10-02
Enamine
EN300-1267193-250mg
3-methylbicyclo[1.1.1]pentan-1-amine
 796963-33-2
250mg
 $902.0 2023-10-02
Enamine
EN300-1267193-500mg
3-methylbicyclo[1.1.1]pentan-1-amine
 796963-33-2
500mg
 $942.0 2023-10-02
Enamine
EN300-1267193-1000mg
3-methylbicyclo[1.1.1]pentan-1-amine
 796963-33-2
1000mg
 $981.0 2023-10-02
Enamine
EN300-1267193-2500mg
3-methylbicyclo[1.1.1]pentan-1-amine
 796963-33-2
2500mg
 $1708.0 2023-10-02

3-methylbicyclo[1.1.1]pentan-1-amine Related Literature

796963-33-2 (3-methylbicyclo[1.1.1]pentan-1-amine) Related Products

Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd