![2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile structure](/static/products/1491/14918-96-8.webp)
2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile
TL;DR: 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile (CAS 14918-96-8) is a chemical compound with molecular formula C12H19N3 and molecular weight 205.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4,4-trimethylpentan-2-ylamino)methylidene]propanedinitrile
Also Known As: 2-{[(2,4,4-trimethylpentan-2-yl)amino]methylidene}propanedinitrile, 2-[(2,4,4-trimethylpentan-2-ylamino)methylidene]propanedinitrile, (((1,1,3,3-TETRAMETHYLBUTYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[(1,1,3,3-tetramethylbutylamino)methylene]propanedinitrile, 2-{[(1,1,3,3-tetramethylbutyl)amino]methylene}malononitrile
| Molecular Formula | C12H19N3 |
|---|---|
| Molecular Weight | 205.16 g/mol |
| LogP | 2.72186 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.1579 |
| Heavy Atoms | 15 |
| Complexity | 302.24707 |
Chemical Identifiers
| CAS Number | 14918-96-8 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)NC=C(C#N)C#N |
Product Overview
2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile (CAS 14918-96-8), with molecular formula C12H19N3 and molecular weight 205.16 g/mol. IUPAC: 2-[(2,4,4-trimethylpentan-2-ylamino)methylidene]propanedinitrile.
Chemical Property Profile of 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile
Property Insights of 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile
The XLogP value of 2.72186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile. With a topological polar surface area (TPSA) of 59.61 Ų, 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(2,4,4-Trimethylpentan-2-yl)amino]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
Frequently Asked Questions
What is the CAS number of 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile?
The CAS number of 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile is 14918-96-8.
What is the molecular formula of 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile?
The molecular formula of 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile is C12H19N3.
What is the molecular weight of 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile?
The molecular weight of 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile is 205.16 g/mol.
Where can I buy 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile?
You can request a quote for 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2,4,4-Trimethylpentan-2-yl)amino]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.