1-(tert-Butyl)-3-cyclohexylcarbodiimide
TL;DR: 1-(tert-Butyl)-3-cyclohexylcarbodiimide (CAS 1202-53-5) is a chemical compound with molecular formula C11H20N2 and molecular weight 180.16264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-tert-butyl-N-cyclohexylmethanediimine
Also Known As: 1-(tert-Butyl)-3-cyclohexylcarbodiimide, N'-tert-butyl-N-cyclohexylmethanediimine, N-tert-butyl-N'-cyclohexylmethanediimine, N-(tert-Butyl)-N'-cyclohexylcarbodiimide, N-Cyclohexyl-N -tert-butylcarbodiimide
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H20N2 |
| Molecular Weight | 180.16264 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.16264 Da |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
| SMILES | CC(C)(C)N=C=NC1CCCCC1 |
| InChIKey | FGVRFIIDUGKFAP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(tert-Butyl)-3-cyclohexylcarbodiimide
Property Insights of 1-(tert-Butyl)-3-cyclohexylcarbodiimide
The XLogP value of 3.8 indicates that 1-(tert-Butyl)-3-cyclohexylcarbodiimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.7 Ų, 1-(tert-Butyl)-3-cyclohexylcarbodiimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(tert-Butyl)-3-cyclohexylcarbodiimide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(tert-Butyl)-3-cyclohexylcarbodiimide?
The CAS number of 1-(tert-Butyl)-3-cyclohexylcarbodiimide is 1202-53-5.
What is the molecular formula of 1-(tert-Butyl)-3-cyclohexylcarbodiimide?
The molecular formula of 1-(tert-Butyl)-3-cyclohexylcarbodiimide is C11H20N2.
What is the molecular weight of 1-(tert-Butyl)-3-cyclohexylcarbodiimide?
The molecular weight of 1-(tert-Butyl)-3-cyclohexylcarbodiimide is 180.16264 g/mol.
Where can I buy 1-(tert-Butyl)-3-cyclohexylcarbodiimide?
You can request a quote for 1-(tert-Butyl)-3-cyclohexylcarbodiimide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(tert-Butyl)-3-cyclohexylcarbodiimide?
Yes, CoreyChem provides custom synthesis services for 1-(tert-Butyl)-3-cyclohexylcarbodiimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.