![3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one structure](/static/products/889/889945-65-7.png)
3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one
TL;DR: 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one (CAS 889945-65-7) is a chemical compound with molecular formula C12H21NO and molecular weight 195.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-(3-methylpent-1-yn-3-ylamino)butan-2-one
Also Known As: ZERO/005320, 3,3-dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one, 3,3-dimethyl-1-(3-methylpent-1-yn-3-ylamino)butan-2-one, 3,3-Dimethyl-1-((3-methylpent-1-yn-3-yl)amino)butan-2-one, 1-[(1-ethyl-1-methyl-prop-2-ynyl)amino]-3,3-dimethyl-butan-2-one
| Molecular Formula | C12H21NO |
|---|---|
| Molecular Weight | 195.16 g/mol |
| LogP | 1.9931 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.16231 |
| Heavy Atoms | 14 |
| Complexity | 244.0278 |
Chemical Identifiers
| CAS Number | 889945-65-7 |
|---|---|
| SMILES | CCC(C)(C#C)NCC(=O)C(C)(C)C |
Product Overview
3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one (CAS 889945-65-7), with molecular formula C12H21NO and molecular weight 195.16 g/mol. IUPAC: 3,3-dimethyl-1-(3-methylpent-1-yn-3-ylamino)butan-2-one.
Chemical Property Profile of 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one
Property Insights of 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one
The XLogP value of 1.9931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one 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 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one?
The CAS number of 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one is 889945-65-7.
What is the molecular formula of 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one?
The molecular formula of 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one is C12H21NO.
What is the molecular weight of 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one?
The molecular weight of 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one is 195.16 g/mol.
Where can I buy 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one?
You can request a quote for 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.