3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride
TL;DR: 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride (CAS 102071-94-3) is a chemical compound with molecular formula C14H29Cl2N3O and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(diethylamino)propan-1-one;dihydrochloride
Also Known As: 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride, 1-Propanone, 3-(diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-, dihydrochloride, 1-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(diethylamino)propan-1-one dihydrochloride, 1-(3,9-Diazabicyclo[3.3.1]nonan-3-yl)-3-(diethylamino)propan-1-one--hydrogen chloride (1/2), RefChem:234993
| Molecular Formula | C14H29Cl2N3O |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 1.9148 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.16876 |
| Heavy Atoms | 20 |
| Complexity | 275.5926 |
Chemical Identifiers
| CAS Number | 102071-94-3 |
|---|---|
| SMILES | CCN(CC)CCC(=O)N1CC2CCCC(C1)N2.Cl.Cl |
Product Overview
3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride (CAS 102071-94-3), with molecular formula C14H29Cl2N3O and molecular weight 325.17 g/mol. IUPAC: 1-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(diethylamino)propan-1-one;dihydrochloride.
Chemical Property Profile of 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride
Property Insights of 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride
The XLogP value of 1.9148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride. With a topological polar surface area (TPSA) of 35.58 Ų, 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride has 1 hydrogen bond donor(s) and 3 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 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride?
The CAS number of 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride is 102071-94-3.
What is the molecular formula of 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride?
The molecular formula of 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride is C14H29Cl2N3O.
What is the molecular weight of 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride?
The molecular weight of 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride is 325.17 g/mol.
Where can I buy 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride?
You can request a quote for 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)-1-(3,9-diazabicyclo(3.3.1)non-3-yl)-1-propanone dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.