3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 903203-45-2) is a chemical compound with molecular formula C19H30N4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(dimethylamino)propylamino]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(3-dimethylaminopropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[3-(dimethylamino)propylamino]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-{[3-(dimethylamino)propyl]amino}-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C19H30N4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 3.39418 |
| Topological Polar Surface Area | 51.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.24704 |
| Heavy Atoms | 23 |
| Complexity | 569.7128 |
Chemical Identifiers
| CAS Number | 903203-45-2 |
|---|---|
| SMILES | CC(C)CC1=NC(=C(C2=C1CCCC2)C#N)NCCCN(C)C |
Product Overview
3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 903203-45-2), with molecular formula C19H30N4 and molecular weight 314.25 g/mol. IUPAC: 3-[3-(dimethylamino)propylamino]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.39418 indicates that 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-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 51.95 Ų, 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 903203-45-2.
What is the molecular formula of 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C19H30N4.
What is the molecular weight of 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 314.25 g/mol.
Where can I buy 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-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 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-(dimethylamino)propyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.