![1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure](/static/products/905/905014-99-5.png)
1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 905014-99-5) is a chemical compound with molecular formula C15H21N3 and molecular weight 243.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(2-methylpropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 1-methyl-3-(2-methylpropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(isobutylamino)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C15H21N3 |
|---|---|
| Molecular Weight | 243.17 g/mol |
| LogP | 3.2084 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.17355 |
| Heavy Atoms | 18 |
| Complexity | 483.49258 |
Chemical Identifiers
| CAS Number | 905014-99-5 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=N1)NCC(C)C)C#N |
Product Overview
1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 905014-99-5), with molecular formula C15H21N3 and molecular weight 243.17 g/mol. IUPAC: 1-methyl-3-(2-methylpropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.2084 indicates that 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 1 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 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 905014-99-5.
What is the molecular formula of 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C15H21N3.
What is the molecular weight of 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 243.17 g/mol.
Where can I buy 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.