TL;DR: 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, 6,7-dihydro-6-butyl-5-N,N-dimethyl-, cis- (CAS 105532-76-1) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,7S)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine
Also Known As: cis-2-N-Butyl-3-dimethylamino-5,6-methylenedioxyindan, cis-6,7-Dihydro-6-butyl-5-N,N-dimethyl-5H-indeno(5,6-d)-1,3-dioxol-5-amine, 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, 6,7-dihydro-6-butyl-5-N,N-dimethyl-, cis-, 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, 6-butyl-6,7-dihydro-N,N-dimethyl-, (5S,6S)-6-Butyl-N,N-dimethyl-6,7-dihydro-2H,5H-indeno[5,6-d][1,3]dioxol-5-amine
| Molecular Formula | C16H23NO2 |
| Molecular Weight | 261.17288 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.17288 Da |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
| SMILES | CCCC[C@H]1CC2=CC3=C(C=C2[C@H]1N(C)C)OCO3 |
| InChIKey | FMKSZNRPQIUWSG-ZBEGNZNMSA-N |
The XLogP value of 3.9 indicates that 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, 6,7-dihydro-6-butyl-5-N,N-dimethyl-, cis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, 6,7-dihydro-6-butyl-5-N,N-dimethyl-, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, 6,7-dihydro-6-butyl-5-N,N-dimethyl-, cis- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, 6,7-dihydro-6-butyl-5-N,N-dimethyl-, cis- is 105532-76-1.
The molecular formula of 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, 6,7-dihydro-6-butyl-5-N,N-dimethyl-, cis- is C16H23NO2.
The molecular weight of 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, 6,7-dihydro-6-butyl-5-N,N-dimethyl-, cis- is 261.17288 g/mol.
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