N-(1,1-二甲基乙基)-1,3-丙二胺
TL;DR: N-(1,1-二甲基乙基)-1,3-丙二胺 (CAS 52198-64-8) is a chemical compound with molecular formula C7H18N2 and molecular weight 130.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-二甲基乙基)-1,3-丙二胺
N'-tert-butylpropane-1,3-diamine
Also Known As: (3-aminopropyl)(tert-butyl)amine, 3-TERT-BUTYLAMINOPROPYLAMINE, N'-tert-butylpropane-1,3-diamine, 3-(t-butylamino)propylamine, N-(1,1-DIMETHYLETHYL)-1,3-PROPANEDIAMINE
| Molecular Formula | C7H18N2 |
|---|---|
| Molecular Weight | 130.15 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.147 |
| Heavy Atoms | 9 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 52198-64-8 |
|---|---|
| SMILES | CC(C)(C)NCCCN |
| InChIKey | NPMAKXHZQFPWHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,1-二甲基乙基)-1,3-丙二胺 (CAS 52198-64-8), with molecular formula C7H18N2 and molecular weight 130.15 g/mol. IUPAC: N'-tert-butylpropane-1,3-diamine.
Chemical Property Profile of N-(1,1-二甲基乙基)-1,3-丙二胺
Property Insights of N-(1,1-二甲基乙基)-1,3-丙二胺
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-二甲基乙基)-1,3-丙二胺. With a topological polar surface area (TPSA) of 38.1 Ų, N-(1,1-二甲基乙基)-1,3-丙二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-二甲基乙基)-1,3-丙二胺 has 2 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 N-(1,1-二甲基乙基)-1,3-丙二胺?
The CAS number of N-(1,1-二甲基乙基)-1,3-丙二胺 is 52198-64-8.
What is the molecular formula of N-(1,1-二甲基乙基)-1,3-丙二胺?
The molecular formula of N-(1,1-二甲基乙基)-1,3-丙二胺 is C7H18N2.
What is the molecular weight of N-(1,1-二甲基乙基)-1,3-丙二胺?
The molecular weight of N-(1,1-二甲基乙基)-1,3-丙二胺 is 130.15 g/mol.
Where can I buy N-(1,1-二甲基乙基)-1,3-丙二胺?
You can request a quote for N-(1,1-二甲基乙基)-1,3-丙二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-二甲基乙基)-1,3-丙二胺?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-二甲基乙基)-1,3-丙二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.