Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)-
TL;DR: Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)- (CAS 10404-31-6) is a chemical compound with molecular formula C13H26N2 and molecular weight 210.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylamino)-2,2-di(propan-2-yl)pentanenitrile
Also Known As: 2,2-Diisopropyl-5-(dimethylamino)valeronitrile, Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)-, 5-(dimethylamino)-2,2-di(propan-2-yl)pentanenitrile, alpha,alpha-Diisopropyl-alpha-(3-dimethylaminopropyl)acetonitrile, 5-(dimethylamino)-2,2-bis(propan-2-yl)pentanenitrile
| Molecular Formula | C13H26N2 |
|---|---|
| Molecular Weight | 210.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.2096 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 10404-31-6 |
|---|---|
| SMILES | CC(C)C(CCCN(C)C)(C#N)C(C)C |
| InChIKey | CIKHVDILYPUSTI-UHFFFAOYSA-N |
Product Overview
Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)- (CAS 10404-31-6), with molecular formula C13H26N2 and molecular weight 210.21 g/mol. IUPAC: 5-(dimethylamino)-2,2-di(propan-2-yl)pentanenitrile.
Chemical Property Profile of Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)-
Property Insights of Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)-
The XLogP value of 3.2 indicates that Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)- has 0 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 Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)-?
The CAS number of Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)- is 10404-31-6.
What is the molecular formula of Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)-?
The molecular formula of Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)- is C13H26N2.
What is the molecular weight of Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)-?
The molecular weight of Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)- is 210.21 g/mol.
Where can I buy Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)-?
You can request a quote for Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Valeronitrile, 2,2-diisopropyl-5-(dimethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.