N-叔丁基-1,1-二甲基炔丙胺
TL;DR: N-叔丁基-1,1-二甲基炔丙胺 (CAS 1118-17-8) is a chemical compound with molecular formula C9H17N and molecular weight 139.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-叔丁基-1,1-二甲基炔丙胺
N-tert-butyl-2-methylbut-3-yn-2-amine
Also Known As: N-tert-Butyl-1,1-dimethylpropargylamine, N-(tert-Butyl)-2-methylbut-3-yn-2-amine, n-tert-butyl-2-methylbut-3-yn-2-amine, TERT-BUTYL(2-METHYLBUT-3-YN-2-YL)AMINE, 3-tert-Butylamino-3-methyl-1-butyne
| Molecular Formula | C9H17N |
|---|---|
| Molecular Weight | 139.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.1361 |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 1118-17-8 |
|---|---|
| SMILES | CC(C)(C)NC(C)(C)C#C |
| InChIKey | YXIAJHJGVGZXCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-叔丁基-1,1-二甲基炔丙胺 (CAS 1118-17-8), with molecular formula C9H17N and molecular weight 139.14 g/mol. IUPAC: N-tert-butyl-2-methylbut-3-yn-2-amine.
Chemical Property Profile of N-叔丁基-1,1-二甲基炔丙胺
Property Insights of N-叔丁基-1,1-二甲基炔丙胺
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-叔丁基-1,1-二甲基炔丙胺. With a topological polar surface area (TPSA) of 12.0 Ų, N-叔丁基-1,1-二甲基炔丙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-叔丁基-1,1-二甲基炔丙胺 has 1 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-叔丁基-1,1-二甲基炔丙胺?
The CAS number of N-叔丁基-1,1-二甲基炔丙胺 is 1118-17-8.
What is the molecular formula of N-叔丁基-1,1-二甲基炔丙胺?
The molecular formula of N-叔丁基-1,1-二甲基炔丙胺 is C9H17N.
What is the molecular weight of N-叔丁基-1,1-二甲基炔丙胺?
The molecular weight of N-叔丁基-1,1-二甲基炔丙胺 is 139.14 g/mol.
Where can I buy N-叔丁基-1,1-二甲基炔丙胺?
You can request a quote for N-叔丁基-1,1-二甲基炔丙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-叔丁基-1,1-二甲基炔丙胺?
Yes, KEHONG BIO provides custom synthesis services for N-叔丁基-1,1-二甲基炔丙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.