3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 904006-43-5) is a chemical compound with molecular formula C17H25N3O and molecular weight 287.19977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(3-hydroxypropyl)amino]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((3-hydroxypropyl)amino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Technical Specifications
| Molecular Formula | C17H25N3O |
| Molecular Weight | 287.19977 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.19977 Da |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
| SMILES | CC(C)CC1=NC(=C(C2=C1CCCC2)C#N)NCCCO |
| InChIKey | PFXKPCGJZAXKOV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 4.1 indicates that 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 904006-43-5.
What is the molecular formula of 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C17H25N3O.
What is the molecular weight of 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 287.19977 g/mol.
Where can I buy 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(3-hydroxypropylamino)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.