3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine
TL;DR: 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine (CAS 244608-47-7) is a chemical compound with molecular formula C14H19N3 and molecular weight 229.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine
Also Known As: 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine, J1.130.742F, (Z)-3,3-dimethyl-1-(propan-2-ylidenehydrazono)-1,2,3,4-tetrahydroisoquinoline, 3,3-Dimethyl-1-(2-isopropylidenehydrazono)-1,2,3,4-tetrahydroisoquinoline, 3,3-Dimethyl-1-[2-(propan-2-ylidene)hydrazinyl]-3,4-dihydroisoquinoline
| Molecular Formula | C14H19N3 |
|---|---|
| Molecular Weight | 229.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 36.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.1579 |
| Heavy Atoms | 17 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 244608-47-7 |
|---|---|
| SMILES | CC(=NNC1=NC(CC2=CC=CC=C21)(C)C)C |
| InChIKey | UOTOTPWWIZZLIP-UHFFFAOYSA-N |
Product Overview
3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine (CAS 244608-47-7), with molecular formula C14H19N3 and molecular weight 229.16 g/mol. IUPAC: 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine.
Chemical Property Profile of 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine
Property Insights of 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine. With a topological polar surface area (TPSA) of 36.8 Ų, 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine has 1 hydrogen bond donor(s) and 2 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-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine?
The CAS number of 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine is 244608-47-7.
What is the molecular formula of 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine?
The molecular formula of 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine is C14H19N3.
What is the molecular weight of 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine?
The molecular weight of 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine is 229.16 g/mol.
Where can I buy 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine?
You can request a quote for 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.