TL;DR: 1,3-Propanediamine, N,N-dimethyl-N-(4-methyl-5H-pyrrolo(3,2-c:4,5-c')dipyridin-1-yl)- (CAS 109202-28-0) is a chemical compound with molecular formula C16H21N5 and molecular weight 283.1797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N',N'-dimethyl-N-(6-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)propane-1,3-diamine
Also Known As: 1,3-Propanediamine, N,N-dimethyl-N-(4-methyl-5H-pyrrolo(3,2-c:4,5-c')dipyridin-1-yl)-, n,n-dimethyl-n'-(4-methyl-5h-pyrrolo[3,2-c:4,5-c']dipyridin-1-yl)propane-1,3-diamine, N~1~,N~1~-Dimethyl-N~3~-(4-methyl-5H-pyrrolo[3,2-c:4,5-c']dipyridin-1-yl)propane-1,3-diamine
| Molecular Formula | C16H21N5 |
| Molecular Weight | 283.1797 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.1797 Da |
| Heavy Atoms | 21 |
| Complexity | 335.0 |
| SMILES | CC1=CN=C(C2=C1NC3=C2C=NC=C3)NCCCN(C)C |
| InChIKey | BRVDQGJRZKMPQV-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N,N-dimethyl-N-(4-methyl-5H-pyrrolo(3,2-c:4,5-c')dipyridin-1-yl)-. With a topological polar surface area (TPSA) of 56.8 Ų, 1,3-Propanediamine, N,N-dimethyl-N-(4-methyl-5H-pyrrolo(3,2-c:4,5-c')dipyridin-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N,N-dimethyl-N-(4-methyl-5H-pyrrolo(3,2-c:4,5-c')dipyridin-1-yl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Propanediamine, N,N-dimethyl-N-(4-methyl-5H-pyrrolo(3,2-c:4,5-c')dipyridin-1-yl)- is 109202-28-0.
The molecular formula of 1,3-Propanediamine, N,N-dimethyl-N-(4-methyl-5H-pyrrolo(3,2-c:4,5-c')dipyridin-1-yl)- is C16H21N5.
The molecular weight of 1,3-Propanediamine, N,N-dimethyl-N-(4-methyl-5H-pyrrolo(3,2-c:4,5-c')dipyridin-1-yl)- is 283.1797 g/mol.
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