![2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile structure](/static/products/7212/72129-61-4.webp)
2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile
TL;DR: 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile (CAS 72129-61-4) is a chemical compound with molecular formula C10H18N2 and molecular weight 166.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[tert-butyl(methyl)amino]-3-methylbut-2-enenitrile
Also Known As: 2-[tert-butyl(methyl)amino]-3-methylbut-2-enenitrile, 2-Butenenitrile,2-[(1,1-dimethylethyl)methylamino]-3-methyl-
| Molecular Formula | C10H18N2 |
|---|---|
| Molecular Weight | 166.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.147 |
| Heavy Atoms | 12 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 72129-61-4 |
|---|---|
| SMILES | CC(=C(C#N)N(C)C(C)(C)C)C |
| InChIKey | JYLRNTSWSJMFMH-UHFFFAOYSA-N |
Product Overview
2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile (CAS 72129-61-4), with molecular formula C10H18N2 and molecular weight 166.15 g/mol. IUPAC: 2-[tert-butyl(methyl)amino]-3-methylbut-2-enenitrile.
Chemical Property Profile of 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile
Property Insights of 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile 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 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile?
The CAS number of 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile is 72129-61-4.
What is the molecular formula of 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile?
The molecular formula of 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile is C10H18N2.
What is the molecular weight of 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile?
The molecular weight of 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile is 166.15 g/mol.
Where can I buy 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile?
You can request a quote for 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[Tert-butyl(methyl)amino]-3-methylbut-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.