(2-Methylpropyl)(prop-2-yn-1-yl)amine
TL;DR: (2-Methylpropyl)(prop-2-yn-1-yl)amine (CAS 111493-01-7) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-prop-2-ynylpropan-1-amine
Also Known As: (2-methylpropyl)(prop-2-yn-1-yl)amine, isobutyl(propargyl)amine, isobutylprop-2-ynylamine, n-isobutylprop-2-yn-1-amine, 2-methyl-N-prop-2-ynylpropan-1-amine
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 0.8652 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 78.87784 |
Chemical Identifiers
| CAS Number | 111493-01-7 |
|---|---|
| SMILES | CC(C)CNCC#C |
Product Overview
(2-Methylpropyl)(prop-2-yn-1-yl)amine (CAS 111493-01-7), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: 2-methyl-N-prop-2-ynylpropan-1-amine.
Chemical Property Profile of (2-Methylpropyl)(prop-2-yn-1-yl)amine
Property Insights of (2-Methylpropyl)(prop-2-yn-1-yl)amine
The XLogP value of 0.8652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methylpropyl)(prop-2-yn-1-yl)amine. With a topological polar surface area (TPSA) of 12.03 Ų, (2-Methylpropyl)(prop-2-yn-1-yl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylpropyl)(prop-2-yn-1-yl)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 (2-Methylpropyl)(prop-2-yn-1-yl)amine?
The CAS number of (2-Methylpropyl)(prop-2-yn-1-yl)amine is 111493-01-7.
What is the molecular formula of (2-Methylpropyl)(prop-2-yn-1-yl)amine?
The molecular formula of (2-Methylpropyl)(prop-2-yn-1-yl)amine is C7H13N.
What is the molecular weight of (2-Methylpropyl)(prop-2-yn-1-yl)amine?
The molecular weight of (2-Methylpropyl)(prop-2-yn-1-yl)amine is 111.10 g/mol.
Where can I buy (2-Methylpropyl)(prop-2-yn-1-yl)amine?
You can request a quote for (2-Methylpropyl)(prop-2-yn-1-yl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylpropyl)(prop-2-yn-1-yl)amine?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylpropyl)(prop-2-yn-1-yl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.