N-(3-Bromo-3-methyl-2-butylidene)isopropylamine
TL;DR: N-(3-Bromo-3-methyl-2-butylidene)isopropylamine (CAS 87207-68-9) is a chemical compound with molecular formula C8H16BrN and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-3-methyl-N-propan-2-ylbutan-2-imine
Also Known As: 3-bromo-N-isopropyl-3-methylbutan-2-imine, N-Isopropyl-3-bromo-3-methyl-2-butanimine, N-(3-Bromo-3-methyl-2-butylidene)isopropylamine, J1.364.189G, 3-bromo-3-methyl-N-propan-2-ylbutan-2-imine
| Molecular Formula | C8H16BrN |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.04662 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 87207-68-9 |
|---|---|
| SMILES | CC(C)N=C(C)C(C)(C)Br |
| InChIKey | XIWRSRBVLRLGSH-UHFFFAOYSA-N |
Product Overview
N-(3-Bromo-3-methyl-2-butylidene)isopropylamine (CAS 87207-68-9), with molecular formula C8H16BrN and molecular weight 205.05 g/mol. IUPAC: 3-bromo-3-methyl-N-propan-2-ylbutan-2-imine.
Chemical Property Profile of N-(3-Bromo-3-methyl-2-butylidene)isopropylamine
Property Insights of N-(3-Bromo-3-methyl-2-butylidene)isopropylamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Bromo-3-methyl-2-butylidene)isopropylamine. With a topological polar surface area (TPSA) of 12.4 Ų, N-(3-Bromo-3-methyl-2-butylidene)isopropylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Bromo-3-methyl-2-butylidene)isopropylamine has 0 hydrogen bond donor(s) and 1 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-(3-Bromo-3-methyl-2-butylidene)isopropylamine?
The CAS number of N-(3-Bromo-3-methyl-2-butylidene)isopropylamine is 87207-68-9.
What is the molecular formula of N-(3-Bromo-3-methyl-2-butylidene)isopropylamine?
The molecular formula of N-(3-Bromo-3-methyl-2-butylidene)isopropylamine is C8H16BrN.
What is the molecular weight of N-(3-Bromo-3-methyl-2-butylidene)isopropylamine?
The molecular weight of N-(3-Bromo-3-methyl-2-butylidene)isopropylamine is 205.05 g/mol.
Where can I buy N-(3-Bromo-3-methyl-2-butylidene)isopropylamine?
You can request a quote for N-(3-Bromo-3-methyl-2-butylidene)isopropylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Bromo-3-methyl-2-butylidene)isopropylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Bromo-3-methyl-2-butylidene)isopropylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.