1-(3-Methylbutyl)pyrrolidine
TL;DR: 1-(3-Methylbutyl)pyrrolidine (CAS 60026-17-7) is a chemical compound with molecular formula C9H17NO and molecular weight 155.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-pyrrolidin-1-ylbutan-1-one
Also Known As: 1-(3-Methylbutyryl)pyrrolidine, 1-(3-Methylbutyl)pyrrolidine, 3-methylbutanoyl pyrrolidine, Pyrrolidine, 1-(3-methyl-1-oxobutyl)-, 1-(3-Methylbutanoyl)pyrrolidine #
| Molecular Formula | C9H17NO |
|---|---|
| Molecular Weight | 155.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.13101 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 60026-17-7 |
|---|---|
| SMILES | CC(C)CC(=O)N1CCCC1 |
| InChIKey | RAPTZNFAMIHBTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Methylbutyl)pyrrolidine (CAS 60026-17-7), with molecular formula C9H17NO and molecular weight 155.13 g/mol. IUPAC: 3-methyl-1-pyrrolidin-1-ylbutan-1-one.
Chemical Property Profile of 1-(3-Methylbutyl)pyrrolidine
Property Insights of 1-(3-Methylbutyl)pyrrolidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylbutyl)pyrrolidine. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(3-Methylbutyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylbutyl)pyrrolidine has 0 hydrogen bond donor(s) and 1 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-(3-Methylbutyl)pyrrolidine?
The CAS number of 1-(3-Methylbutyl)pyrrolidine is 60026-17-7.
What is the molecular formula of 1-(3-Methylbutyl)pyrrolidine?
The molecular formula of 1-(3-Methylbutyl)pyrrolidine is C9H17NO.
What is the molecular weight of 1-(3-Methylbutyl)pyrrolidine?
The molecular weight of 1-(3-Methylbutyl)pyrrolidine is 155.13 g/mol.
Where can I buy 1-(3-Methylbutyl)pyrrolidine?
You can request a quote for 1-(3-Methylbutyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylbutyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylbutyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.