3-Aminomethylpinane
TL;DR: 3-Aminomethylpinane (CAS 57357-85-4) is a chemical compound with molecular formula C11H21N and molecular weight 167.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine
Also Known As: 3-Aminomethylpinane, (1S,2S,3S,5R)-3-(aminomethyl)pinane, (1S-(1alpha,2beta,3alpha,5alpha))-(2,6,6-Trimethylbicyclo(3.1.1)hept-3-yl)methylamine, 1-[(1s,2s,3s,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]methanamine, [1s-]-[2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]methylamine
| Molecular Formula | C11H21N |
|---|---|
| Molecular Weight | 167.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.1674 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 57357-85-4 |
|---|---|
| SMILES | C[C@@H]1[C@H](C[C@H]2C[C@@H]1C2(C)C)CN |
| InChIKey | MUOITVAMHSVXLO-IMSYWVGJSA-N |
Product Overview
3-Aminomethylpinane (CAS 57357-85-4), with molecular formula C11H21N and molecular weight 167.17 g/mol. IUPAC: [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine.
Chemical Property Profile of 3-Aminomethylpinane
Property Insights of 3-Aminomethylpinane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Aminomethylpinane. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Aminomethylpinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminomethylpinane has 1 hydrogen bond donor(s) and 1 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-Aminomethylpinane?
The CAS number of 3-Aminomethylpinane is 57357-85-4.
What is the molecular formula of 3-Aminomethylpinane?
The molecular formula of 3-Aminomethylpinane is C11H21N.
What is the molecular weight of 3-Aminomethylpinane?
The molecular weight of 3-Aminomethylpinane is 167.17 g/mol.
Where can I buy 3-Aminomethylpinane?
You can request a quote for 3-Aminomethylpinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminomethylpinane?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminomethylpinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.