3-Methyl-2-(propan-2-ylamino)butanenitrile
TL;DR: 3-Methyl-2-(propan-2-ylamino)butanenitrile (CAS 69415-85-6) is a chemical compound with molecular formula C8H16N2 and molecular weight 140.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(propan-2-ylamino)butanenitrile
Also Known As: 3-methyl-2-(propan-2-ylamino)butanenitrile, 3-Methyl-2-[(propan-2-yl)amino]butanenitrile
| Molecular Formula | C8H16N2 |
|---|---|
| Molecular Weight | 140.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.13135 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 69415-85-6 |
|---|---|
| SMILES | CC(C)C(C#N)NC(C)C |
| InChIKey | UXLIUPIASIDEEY-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-(propan-2-ylamino)butanenitrile (CAS 69415-85-6), with molecular formula C8H16N2 and molecular weight 140.13 g/mol. IUPAC: 3-methyl-2-(propan-2-ylamino)butanenitrile.
Chemical Property Profile of 3-Methyl-2-(propan-2-ylamino)butanenitrile
Property Insights of 3-Methyl-2-(propan-2-ylamino)butanenitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-(propan-2-ylamino)butanenitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 3-Methyl-2-(propan-2-ylamino)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-(propan-2-ylamino)butanenitrile 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-Methyl-2-(propan-2-ylamino)butanenitrile?
The CAS number of 3-Methyl-2-(propan-2-ylamino)butanenitrile is 69415-85-6.
What is the molecular formula of 3-Methyl-2-(propan-2-ylamino)butanenitrile?
The molecular formula of 3-Methyl-2-(propan-2-ylamino)butanenitrile is C8H16N2.
What is the molecular weight of 3-Methyl-2-(propan-2-ylamino)butanenitrile?
The molecular weight of 3-Methyl-2-(propan-2-ylamino)butanenitrile is 140.13 g/mol.
Where can I buy 3-Methyl-2-(propan-2-ylamino)butanenitrile?
You can request a quote for 3-Methyl-2-(propan-2-ylamino)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(propan-2-ylamino)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(propan-2-ylamino)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.