3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one
TL;DR: 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one (CAS 1216927-09-1) is a chemical compound with molecular formula C8H13NO and molecular weight 139.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-3-(prop-2-ynylamino)butan-2-one
Also Known As: 3-methyl-3-(prop-2-yn-1-ylamino)butan-2-one, ZERO/005746, 3-methyl-3-(prop-2-ynylamino)butan-2-one, 3-methyl-3-[(prop-2-yn-1-yl)amino]butan-2-one
Technical Specifications
| Molecular Formula | C8H13NO |
| Molecular Weight | 139.09972 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.09972 Da |
| Heavy Atoms | 10 |
| Complexity | 173.0 |
| SMILES | CC(=O)C(C)(C)NCC#C |
| InChIKey | VSNGLYICXQBDBW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one
Property Insights of 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-(prop-2-yn-1-ylamino)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
What is the CAS number of 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one?
The CAS number of 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one is 1216927-09-1.
What is the molecular formula of 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one?
The molecular formula of 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one is C8H13NO.
What is the molecular weight of 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one?
The molecular weight of 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one is 139.09972 g/mol.
Where can I buy 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one?
You can request a quote for 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-3-(prop-2-yn-1-ylamino)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.