3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate
TL;DR: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate (CAS 110053-29-7) is a chemical compound with molecular formula C16H30N2O4 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate
Also Known As: 2-Butenedioic acid (2Z)-, dimethyl ester, reaction products with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; dimethyl (Z)-but-2-enedioate, 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate, IUPAC: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; Dimethyl (Z)-but-2-enedioate
| Molecular Formula | C16H30N2O4 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 1.3774 |
| Topological Polar Surface Area | 104.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.22055 |
| Heavy Atoms | 22 |
| Complexity | 388.94998 |
Chemical Identifiers
| CAS Number | 110053-29-7 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN)N)C.COC(=O)/C=C\C(=O)OC |
Product Overview
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate (CAS 110053-29-7), with molecular formula C16H30N2O4 and molecular weight 314.22 g/mol. IUPAC: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate.
Chemical Property Profile of 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate
Property Insights of 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate
The XLogP value of 1.3774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate. The TPSA of 104.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate. Following Lipinski's Rule of Five, 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate has 2 hydrogen bond donor(s) and 6 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-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate?
The CAS number of 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate is 110053-29-7.
What is the molecular formula of 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate?
The molecular formula of 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate is C16H30N2O4.
What is the molecular weight of 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate?
The molecular weight of 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate is 314.22 g/mol.
Where can I buy 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate?
You can request a quote for 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;dimethyl (Z)-but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.