TL;DR: N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine (CAS 158747-10-5) is a chemical compound with molecular formula C12H23NO2 and molecular weight 213.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine
Also Known As: N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine, 4-Methylamino-cyclohexanone(2',2'-dimethyltrimethylene ketal), N,9,9-trimethyl-7,11-dioxaspiro[5.5]undecan-3-amine, 1,5-Dioxaspiro[5.5]undecan-9-amine, N,3,3-trimethyl-, N,3,3-Trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine;
| Molecular Formula | C12H23NO2 |
| Molecular Weight | 213.17288 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.17288 Da |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
| SMILES | CC1(COC2(CCC(CC2)NC)OC1)C |
| InChIKey | AGIWCGXGVSTDQF-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine. With a topological polar surface area (TPSA) of 30.5 Ų, N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine has 1 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 N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine is 158747-10-5.
The molecular formula of N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine is C12H23NO2.
The molecular weight of N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine is 213.17288 g/mol.
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