N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine
TL;DR: N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine (CAS 84859-13-2) is a chemical compound with molecular formula C16H30N4 and molecular weight 278.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-[2-[(1-methylazepan-2-ylidene)amino]ethyl]azepan-2-imine
Also Known As: N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine, 1,2-Ethanediamine, N,N'-bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-, 1-methyl-N-[2-[(1-methylazepan-2-ylidene)amino]ethyl]azepan-2-imine, BRN 4461516
| Molecular Formula | C16H30N4 |
|---|---|
| Molecular Weight | 278.25 g/mol |
| LogP | 2.795 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.24704 |
| Heavy Atoms | 20 |
| Complexity | 314.38605 |
Chemical Identifiers
| CAS Number | 84859-13-2 |
|---|---|
| SMILES | CN1CCCCCC1=NCCN=C2CCCCCN2C |
Product Overview
N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine (CAS 84859-13-2), with molecular formula C16H30N4 and molecular weight 278.25 g/mol. IUPAC: 1-methyl-N-[2-[(1-methylazepan-2-ylidene)amino]ethyl]azepan-2-imine.
Chemical Property Profile of N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine
Property Insights of N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine
The XLogP value of 2.795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine. With a topological polar surface area (TPSA) of 31.2 Ų, N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine 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
Frequently Asked Questions
What is the CAS number of N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine?
The CAS number of N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine is 84859-13-2.
What is the molecular formula of N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine?
The molecular formula of N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine is C16H30N4.
What is the molecular weight of N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine?
The molecular weight of N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine is 278.25 g/mol.
Where can I buy N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine?
You can request a quote for N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Bis(hexahydro-1-methyl-2H-azepin-2-ylidene)-1,2-ethanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.