N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine
TL;DR: N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine (CAS 521-80-2) is a chemical compound with molecular formula C20H23N and molecular weight 277.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine
Also Known As: N-Methylprotriptyline, 5-(3-Dimethylaminopropyl)-5H-dibenzo(a,d)cycloheptene, 5-[3- propyl]-5H-dibenzo[a,d]cycloheptene, 5H-Dibenzo(a,d)cycloheptene-5-propylamine, N,N-dimethyl-, 5-(3'-N,N-Dimethylaminopropyl)-5H-dibenzo(a,d)cycloheptene
| Molecular Formula | C20H23N |
|---|---|
| Molecular Weight | 277.18 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.18304 |
| Heavy Atoms | 21 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 521-80-2 |
|---|---|
| SMILES | CN(C)CCCC1C2=CC=CC=C2C=CC3=CC=CC=C13 |
| InChIKey | YVBGGZGCBWNVDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine (CAS 521-80-2), with molecular formula C20H23N and molecular weight 277.18 g/mol. IUPAC: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine.
Chemical Property Profile of N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine
Property Insights of N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine
The XLogP value of 4.9 indicates that N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine 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 N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine?
The CAS number of N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine is 521-80-2.
What is the molecular formula of N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine?
The molecular formula of N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine is C20H23N.
What is the molecular weight of N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine?
The molecular weight of N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine is 277.18 g/mol.
Where can I buy N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine?
You can request a quote for N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.