N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine
TL;DR: N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine (CAS 133401-12-4) is a chemical compound with molecular formula C14H28N2 and molecular weight 224.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine
Also Known As: N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine, n,n-dimethyl-n'-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine, N~1~,N~1~-Dimethyl-N~4~-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine
| Molecular Formula | C14H28N2 |
|---|---|
| Molecular Weight | 224.23 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.22525 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 133401-12-4 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)NCC#CCN(C)C |
| InChIKey | GHJQEJINCJJYKH-UHFFFAOYSA-N |
Product Overview
N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine (CAS 133401-12-4), with molecular formula C14H28N2 and molecular weight 224.23 g/mol. IUPAC: N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine.
Chemical Property Profile of N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine
Property Insights of N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine. With a topological polar surface area (TPSA) of 15.3 Ų, N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine has 1 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'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine?
The CAS number of N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine is 133401-12-4.
What is the molecular formula of N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine?
The molecular formula of N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine is C14H28N2.
What is the molecular weight of N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine?
The molecular weight of N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine is 224.23 g/mol.
Where can I buy N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine?
You can request a quote for N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N',N'-dimethyl-N-(2,4,4-trimethylpentan-2-yl)but-2-yne-1,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.