![2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile structure](/static/products/1020/1020251-93-7.webp)
2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile
TL;DR: 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile (CAS 1020251-93-7) is a chemical compound with molecular formula C11H13N3 and molecular weight 187.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile
Also Known As: 2-{[(3-ethylpent-1-yn-3-yl)amino]methylidene}propanedinitrile, 2-[(3-ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile, 2-{[(1,1-diethyl-2-propynyl)amino]methylene}malononitrile, 2-[(1,1-diethylprop-2-ynylamino)methylene]propanedinitrile, (((1,1-DIETHYLPROP-2-YNYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE
Technical Specifications
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.11095 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.11095 Da |
| Heavy Atoms | 14 |
| Complexity | 341.0 |
| SMILES | CCC(CC)(C#C)NC=C(C#N)C#N |
| InChIKey | HKLYZTHAIDBGPX-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile
Property Insights of 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 59.6 Ų, 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile?
The CAS number of 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile is 1020251-93-7.
What is the molecular formula of 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile?
The molecular formula of 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile is C11H13N3.
What is the molecular weight of 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile?
The molecular weight of 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile is 187.11095 g/mol.
Where can I buy 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile?
You can request a quote for 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(3-Ethylpent-1-yn-3-ylamino)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.