N-(Propan-2-yl)prop-2-yn-1-amine
TL;DR: N-(Propan-2-yl)prop-2-yn-1-amine (CAS 83206-49-9) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-ynylpropan-2-amine
Also Known As: (prop-2-yn-1-yl)(propan-2-yl)amine, isopropylpropargylamine, 3-isopropylaminopropyne, N-prop-2-ynylpropan-2-amine, N-ISOPROPYLPROP-2-YN-1-AMINE
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 83206-49-9 |
|---|---|
| SMILES | CC(C)NCC#C |
| InChIKey | BQMKURIMSKNDLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Propan-2-yl)prop-2-yn-1-amine (CAS 83206-49-9), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: N-prop-2-ynylpropan-2-amine.
Chemical Property Profile of N-(Propan-2-yl)prop-2-yn-1-amine
Property Insights of N-(Propan-2-yl)prop-2-yn-1-amine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Propan-2-yl)prop-2-yn-1-amine. With a topological polar surface area (TPSA) of 12.0 Ų, N-(Propan-2-yl)prop-2-yn-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Propan-2-yl)prop-2-yn-1-amine has 1 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 N-(Propan-2-yl)prop-2-yn-1-amine?
The CAS number of N-(Propan-2-yl)prop-2-yn-1-amine is 83206-49-9.
What is the molecular formula of N-(Propan-2-yl)prop-2-yn-1-amine?
The molecular formula of N-(Propan-2-yl)prop-2-yn-1-amine is C6H11N.
What is the molecular weight of N-(Propan-2-yl)prop-2-yn-1-amine?
The molecular weight of N-(Propan-2-yl)prop-2-yn-1-amine is 97.09 g/mol.
Where can I buy N-(Propan-2-yl)prop-2-yn-1-amine?
You can request a quote for N-(Propan-2-yl)prop-2-yn-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Propan-2-yl)prop-2-yn-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(Propan-2-yl)prop-2-yn-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.