3-((2-Methylpropyl)amino)propanenitrile
TL;DR: 3-((2-Methylpropyl)amino)propanenitrile (CAS 14313-89-4) is a chemical compound with molecular formula C7H14N2 and molecular weight 126.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropylamino)propanenitrile
Also Known As: 3-isobutylamino-propionitrile, 3-[(2-methylpropyl)amino]propanenitrile, Propionitrile, 3-(isobutylamino)-, 3-(2-methylpropylamino)propanenitrile, 3-(Isobutylamino)propionitrile
| Molecular Formula | C7H14N2 |
|---|---|
| Molecular Weight | 126.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.1157 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 14313-89-4 |
|---|---|
| SMILES | CC(C)CNCCC#N |
| InChIKey | BUEAACVLKZAVFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((2-Methylpropyl)amino)propanenitrile (CAS 14313-89-4), with molecular formula C7H14N2 and molecular weight 126.12 g/mol. IUPAC: 3-(2-methylpropylamino)propanenitrile.
Chemical Property Profile of 3-((2-Methylpropyl)amino)propanenitrile
Property Insights of 3-((2-Methylpropyl)amino)propanenitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Methylpropyl)amino)propanenitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 3-((2-Methylpropyl)amino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-Methylpropyl)amino)propanenitrile 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-((2-Methylpropyl)amino)propanenitrile?
The CAS number of 3-((2-Methylpropyl)amino)propanenitrile is 14313-89-4.
What is the molecular formula of 3-((2-Methylpropyl)amino)propanenitrile?
The molecular formula of 3-((2-Methylpropyl)amino)propanenitrile is C7H14N2.
What is the molecular weight of 3-((2-Methylpropyl)amino)propanenitrile?
The molecular weight of 3-((2-Methylpropyl)amino)propanenitrile is 126.12 g/mol.
Where can I buy 3-((2-Methylpropyl)amino)propanenitrile?
You can request a quote for 3-((2-Methylpropyl)amino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Methylpropyl)amino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Methylpropyl)amino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.