N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine
TL;DR: N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine (CAS 55396-75-3) is a chemical compound with molecular formula C11H22N4 and molecular weight 210.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpropyl)-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
Also Known As: N-isobutyl[?]amine, 7-Isobutylamino-1,3,5-triazaadamantan, N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine, N-isobutyl-1,3,5-triazaadamantan-7-amine, N(CC(C)C)C12CN3CN(C1)CN(C2)C3
| Molecular Formula | C11H22N4 |
|---|---|
| Molecular Weight | 210.18 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 21.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.18445 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 55396-75-3 |
|---|---|
| SMILES | CC(C)CNC12CN3CN(C1)CN(C2)C3 |
| InChIKey | ZEOVOTIZJBWUMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine (CAS 55396-75-3), with molecular formula C11H22N4 and molecular weight 210.18 g/mol. IUPAC: N-(2-methylpropyl)-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine.
Chemical Property Profile of N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine
Property Insights of N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine. With a topological polar surface area (TPSA) of 21.8 Ų, N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine has 1 hydrogen bond donor(s) and 4 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 N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine?
The CAS number of N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine is 55396-75-3.
What is the molecular formula of N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine?
The molecular formula of N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine is C11H22N4.
What is the molecular weight of N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine?
The molecular weight of N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine is 210.18 g/mol.
Where can I buy N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine?
You can request a quote for N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine?
Yes, KEHONG BIO provides custom synthesis services for N-Isobutyl-1,3,5-triazatricyclo(3.3.1.1(3,7))decan-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.