Tert-butyl(propan-2-ylidene)amine
TL;DR: Tert-butyl(propan-2-ylidene)amine (CAS 66548-20-7) is a chemical compound with molecular formula C7H15N and molecular weight 113.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butylpropan-2-imine
Also Known As: N-tert-butylpropan-2-imine, tert-butyl(propan-2-ylidene)amine, 2-methyl-N-(1-methylethylidene)propan-2-amine, N-(1-Methylethylidene)-2-methylpropane-2-amine, 2-propanamine, 2-methyl-N-(1-methylethylidene)-
| Molecular Formula | C7H15N |
|---|---|
| Molecular Weight | 113.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.12045 |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 66548-20-7 |
|---|---|
| SMILES | CC(=NC(C)(C)C)C |
| InChIKey | ONHIOEQQPNFUMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl(propan-2-ylidene)amine (CAS 66548-20-7), with molecular formula C7H15N and molecular weight 113.12 g/mol. IUPAC: N-tert-butylpropan-2-imine.
Chemical Property Profile of Tert-butyl(propan-2-ylidene)amine
Property Insights of Tert-butyl(propan-2-ylidene)amine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl(propan-2-ylidene)amine. With a topological polar surface area (TPSA) of 12.4 Ų, Tert-butyl(propan-2-ylidene)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl(propan-2-ylidene)amine 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 Tert-butyl(propan-2-ylidene)amine?
The CAS number of Tert-butyl(propan-2-ylidene)amine is 66548-20-7.
What is the molecular formula of Tert-butyl(propan-2-ylidene)amine?
The molecular formula of Tert-butyl(propan-2-ylidene)amine is C7H15N.
What is the molecular weight of Tert-butyl(propan-2-ylidene)amine?
The molecular weight of Tert-butyl(propan-2-ylidene)amine is 113.12 g/mol.
Where can I buy Tert-butyl(propan-2-ylidene)amine?
You can request a quote for Tert-butyl(propan-2-ylidene)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl(propan-2-ylidene)amine?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl(propan-2-ylidene)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.