3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile
TL;DR: 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile (CAS 93941-63-0) is a chemical compound with molecular formula C13H25N3 and molecular weight 223.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]propanenitrile
Also Known As: EINECS 283-119-2, EINECS 300-512-7, 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile, 3-[[(5-AMINO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL]AMINO]PROPIONONITRILE, 3-{[(5-AMINO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL]AMINO}PROPANENITRILE
| Molecular Formula | C13H25N3 |
|---|---|
| Molecular Weight | 223.20 g/mol |
| LogP | 2.03338 |
| Topological Polar Surface Area | 61.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.20485 |
| Heavy Atoms | 16 |
| Complexity | 266.8415 |
Chemical Identifiers
| CAS Number | 93941-63-0 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CNCCC#N)N)C |
Product Overview
3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile (CAS 93941-63-0), with molecular formula C13H25N3 and molecular weight 223.20 g/mol. IUPAC: 3-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]propanenitrile.
Chemical Property Profile of 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile
Property Insights of 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile
The XLogP value of 2.03338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile. The TPSA of 61.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile. Following Lipinski's Rule of Five, 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile has 2 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 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile?
The CAS number of 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile is 93941-63-0.
What is the molecular formula of 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile?
The molecular formula of 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile is C13H25N3.
What is the molecular weight of 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile?
The molecular weight of 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile is 223.20 g/mol.
Where can I buy 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile?
You can request a quote for 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.