C86H179N7 — CID 160983175
carbanide;6,10-dimethyl-5-azoniaspiro[4.5]decane;7,9-dimethyl-5-azoniaspiro[4.5]decane;7,10-dimethyl-5-azoniaspiro[4.5]decane;8,9-dimethyl-5-azoniaspiro[4.5]decane;8,10-dimethyl-5-azoniaspiro[4.5]decane;7,9,10-trimethyl-5-azoniaspiro[4.5]decane;8,9,10-trimethyl-5-azoniaspiro[4.5]decane (PubChem CID 160983175) has the molecular formula C86H179N7 and a molecular weight of 1311.43 g/mol. Its IUPAC name is carbanide;6,10-dimethyl-5-azoniaspiro[4.5]decane;7,9-dimethyl-5-azoniaspiro[4.5]decane;7,10-dimethyl-5-azoniaspiro[4.5]decane;8,9-dimethyl-5-azoniaspiro[4.5]decane;8,10-dimethyl-5-azoniaspiro[4.5]decane;7,9,10-trimethyl-5-azoniaspiro[4.5]decane;8,9,10-trimethyl-5-azoniaspiro[4.5]decane.
| Compound Name | carbanide;6,10-dimethyl-5-azoniaspiro[4.5]decane;7,9-dimethyl-5-azoniaspiro[4.5]decane;7,10-dimethyl-5-azoniaspiro[4.5]decane;8,9-dimethyl-5-azoniaspiro[4.5]decane;8,10-dimethyl-5-azoniaspiro[4.5]decane;7,9,10-trimethyl-5-azoniaspiro[4.5]decane;8,9,10-trimethyl-5-azoniaspiro[4.5]decane |
|---|---|
| PubChem CID | 160983175 |
| Molecular Formula | C86H179N7 |
| Molecular Weight | 1311.43 g/mol |
| Exact Mass | 1310.42 |
| IUPAC Name | carbanide;6,10-dimethyl-5-azoniaspiro[4.5]decane;7,9-dimethyl-5-azoniaspiro[4.5]decane;7,10-dimethyl-5-azoniaspiro[4.5]decane;8,9-dimethyl-5-azoniaspiro[4.5]decane;8,10-dimethyl-5-azoniaspiro[4.5]decane;7,9,10-trimethyl-5-azoniaspiro[4.5]decane;8,9,10-trimethyl-5-azoniaspiro[4.5]decane |
| SMILES | CC1CC(C)C(C)[N+]2(CCCC2)C1.CC1CC(C)C[N+]2(CCCC2)C1.CC1CCC(C)[N+]2(CCCC2)C1.CC1CCCC(C)[N+]12CCCC2.CC1CC[N+]2(CCCC2)C(C)C1.CC1CC[N+]2(CCCC2)C(C)C1C.CC1CC[N+]2(CCCC2)CC1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-] |
| InChI | InChI=1S/2C12H24N.5C11H22N.7CH3/c1-10-6-9-13(7-4-5-8-13)12(3)11(10)2;1-10-8-11(2)12(3)13(9-10)6-4-5-7-13;1-10-6-5-7-11(2)12(10)8-3-4-9-12;1-10-5-6-11(2)12(9-10)7-3-4-8-12;1-10-5-8-12(9-11(10)2)6-3-4-7-12;1-10-5-8-12(11(2)9-10)6-3-4-7-12;1-10-7-11(2)9-12(8-10)5-3-4-6-12;;;;;;;/h2*10-12H,4-9H2,1-3H3;5*10-11H,3-9H2,1-2H3;7*1H3/q7*+1;7*-1 |
| InChIKey | GWZPNUOKVOKDKW-UHFFFAOYSA-N |
| XLogP | 20.41 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 93 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1311.43 |
| LogP ≤ 5 | 20.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
|---|