C207H395N17 — CID 167668820
3,9-dimethyl-3-azaspiro[5.5]undecane;3-ethyl-8-methyl-8-azaspiro[4.5]decane;8-ethyl-2-methyl-2-azaspiro[4.5]decane;6-ethyl-2-methyl-2-azaspiro[3.3]heptane;2-ethyl-7-methyl-7-azaspiro[3.5]nonane;7-ethyl-2-methyl-2-azaspiro[3.5]nonane;8-ethyl-2-methyl-2-azaspiro[4.4]nonane;2-ethyl-6-methyl-6-azaspiro[3.4]octane;6-ethyl-2-methyl-2-azaspiro[3.4]octane;3-ethyl-N-methylspiro[4.5]decan-8-amine;6-ethyl-N-methylspiro[3.3]heptan-2-amine;2-ethyl-N-methylspiro[3.5]nonan-7-amine;7-ethyl-N-methylspiro[3.5]nonan-2-amine;8-ethyl-N-methylspiro[4.4]nonan-3-amine;2-ethyl-N-methylspiro[3.4]octan-7-amine;7-ethyl-N-methylspiro[3.4]octan-2-amine;N-methyl-1-(8-methylspiro[4.5]decan-3-yl)methanamine;9-methyl-3-propylspiro[5.5]undecane (PubChem CID 167668820) has the molecular formula C207H395N17 and a molecular weight of 3122.56 g/mol. Its IUPAC name is 3,9-dimethyl-3-azaspiro[5.5]undecane;3-ethyl-8-methyl-8-azaspiro[4.5]decane;8-ethyl-2-methyl-2-azaspiro[4.5]decane;6-ethyl-2-methyl-2-azaspiro[3.3]heptane;2-ethyl-7-methyl-7-azaspiro[3.5]nonane;7-ethyl-2-methyl-2-azaspiro[3.5]nonane;8-ethyl-2-methyl-2-azaspiro[4.4]nonane;2-ethyl-6-methyl-6-azaspiro[3.4]octane;6-ethyl-2-methyl-2-azaspiro[3.4]octane;3-ethyl-N-methylspiro[4.5]decan-8-amine;6-ethyl-N-methylspiro[3.3]heptan-2-amine;2-ethyl-N-methylspiro[3.5]nonan-7-amine;7-ethyl-N-methylspiro[3.5]nonan-2-amine;8-ethyl-N-methylspiro[4.4]nonan-3-amine;2-ethyl-N-methylspiro[3.4]octan-7-amine;7-ethyl-N-methylspiro[3.4]octan-2-amine;N-methyl-1-(8-methylspiro[4.5]decan-3-yl)methanamine;9-methyl-3-propylspiro[5.5]undecane.
| Compound Name | 3,9-dimethyl-3-azaspiro[5.5]undecane;3-ethyl-8-methyl-8-azaspiro[4.5]decane;8-ethyl-2-methyl-2-azaspiro[4.5]decane;6-ethyl-2-methyl-2-azaspiro[3.3]heptane;2-ethyl-7-methyl-7-azaspiro[3.5]nonane;7-ethyl-2-methyl-2-azaspiro[3.5]nonane;8-ethyl-2-methyl-2-azaspiro[4.4]nonane;2-ethyl-6-methyl-6-azaspiro[3.4]octane;6-ethyl-2-methyl-2-azaspiro[3.4]octane;3-ethyl-N-methylspiro[4.5]decan-8-amine;6-ethyl-N-methylspiro[3.3]heptan-2-amine;2-ethyl-N-methylspiro[3.5]nonan-7-amine;7-ethyl-N-methylspiro[3.5]nonan-2-amine;8-ethyl-N-methylspiro[4.4]nonan-3-amine;2-ethyl-N-methylspiro[3.4]octan-7-amine;7-ethyl-N-methylspiro[3.4]octan-2-amine;N-methyl-1-(8-methylspiro[4.5]decan-3-yl)methanamine;9-methyl-3-propylspiro[5.5]undecane |
|---|---|
| PubChem CID | 167668820 |
| Molecular Formula | C207H395N17 |
| Molecular Weight | 3122.56 g/mol |
| Exact Mass | 3120.14 |
| IUPAC Name | 3,9-dimethyl-3-azaspiro[5.5]undecane;3-ethyl-8-methyl-8-azaspiro[4.5]decane;8-ethyl-2-methyl-2-azaspiro[4.5]decane;6-ethyl-2-methyl-2-azaspiro[3.3]heptane;2-ethyl-7-methyl-7-azaspiro[3.5]nonane;7-ethyl-2-methyl-2-azaspiro[3.5]nonane;8-ethyl-2-methyl-2-azaspiro[4.4]nonane;2-ethyl-6-methyl-6-azaspiro[3.4]octane;6-ethyl-2-methyl-2-azaspiro[3.4]octane;3-ethyl-N-methylspiro[4.5]decan-8-amine;6-ethyl-N-methylspiro[3.3]heptan-2-amine;2-ethyl-N-methylspiro[3.5]nonan-7-amine;7-ethyl-N-methylspiro[3.5]nonan-2-amine;8-ethyl-N-methylspiro[4.4]nonan-3-amine;2-ethyl-N-methylspiro[3.4]octan-7-amine;7-ethyl-N-methylspiro[3.4]octan-2-amine;N-methyl-1-(8-methylspiro[4.5]decan-3-yl)methanamine;9-methyl-3-propylspiro[5.5]undecane |
| SMILES | CC1CCC2(CC1)CCN(C)CC2.CCC1CC2(C1)CC(NC)C2.CCC1CC2(C1)CN(C)C2.CCC1CC2(CCC(NC)C2)C1.CCC1CC2(CCC(NC)CC2)C1.CCC1CC2(CCN(C)C2)C1.CCC1CC2(CCN(C)CC2)C1.CCC1CCC2(C1)CC(NC)C2.CCC1CCC2(C1)CN(C)C2.CCC1CCC2(CC1)CC(NC)C2.CCC1CCC2(CC1)CCN(C)C2.CCC1CCC2(CC1)CN(C)C2.CCC1CCC2(CCC(NC)C2)C1.CCC1CCC2(CCC(NC)CC2)C1.CCC1CCC2(CCN(C)C2)C1.CCC1CCC2(CCN(C)CC2)C1.CCCC1CCC2(CCC(C)CC2)CC1.CNCC1CCC2(CCC(C)CC2)C1 |
| InChI | InChI=1S/C15H28.2C13H25N.6C12H23N.5C11H21N.3C10H19N.C9H17N/c1-3-4-14-7-11-15(12-8-14)9-5-13(2)6-10-15;1-11-3-6-13(7-4-11)8-5-12(9-13)10-14-2;1-3-11-4-7-13(10-11)8-5-12(14-2)6-9-13;1-11-3-5-12(6-4-11)7-9-13(2)10-8-12;1-3-10-8-12(9-10)6-4-11(13-2)5-7-12;1-3-10-4-6-12(8-10)7-5-11(9-12)13-2;1-3-10-4-6-12(7-5-10)8-11(9-12)13-2;1-3-11-4-6-12(7-5-11)8-9-13(2)10-12;1-3-11-4-5-12(10-11)6-8-13(2)9-7-12;1-3-10-8-11(9-10)4-6-12(2)7-5-11;1-3-10-4-6-11(7-5-10)8-12(2)9-11;1-3-9-6-11(7-9)5-4-10(8-11)12-2;1-3-9-4-5-11(6-9)7-10(8-11)12-2;1-3-10-4-5-11(8-10)6-7-12(2)9-11;1-3-8-4-10(5-8)6-9(7-10)11-2;1-3-9-6-10(7-9)4-5-11(2)8-10;1-3-9-4-5-10(6-9)7-11(2)8-10;1-3-8-4-9(5-8)6-10(2)7-9/h13-14H,3-12H2,1-2H3;2*11-12,14H,3-10H2,1-2H3;11H,3-10H2,1-2H3;3*10-11,13H,3-9H2,1-2H3;2*11H,3-10H2,1-2H3;2*10H,3-9H2,1-2H3;2*9-10,12H,3-8H2,1-2H3;10H,3-9H2,1-2H3;8-9,11H,3-7H2,1-2H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3 |
| InChIKey | TUKFFBJWTUMEJS-UHFFFAOYSA-N |
| XLogP | 50.16 |
| TPSA | 125.40 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 224 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3122.56 |
| LogP ≤ 5 | 50.16 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 17 |