carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane

C88H183N7 — CID 161371829

IUPACcarbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane
SMILESCC1C(C)C(C)[N+]2(CCCCCC2)C1C.CC1CC(C)[N+]2(CCCCCC2)C1C.CC1CCCC[N+]12CCCC2.CC1CCC[N+]2(CCCC2)C1.CC1CCC[N+]2(CCCC2)C1C.CC1CC[N+]2(CCCC2)CC1.CC1C[N+]2(CCCCCC2)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C14H28N.2C13H26N.C11H22N.3C10H20N.7CH3/c1-11-12(2)14(4)15(13(11)3)9-7-5-6-8-10-15;1-11-10-14(13(3)12(11)2)8-6-4-5-7-9-14;1-11-10-12(2)14(13(11)3)8-6-4-5-7-9-14;1-10-6-5-9-12(11(10)2)7-3-4-8-12;1-10-4-8-11(9-5-10)6-2-3-7-11;1-10-5-4-8-11(9-10)6-2-3-7-11;1-10-6-2-3-7-11(10)8-4-5-9-11;;;;;;;/h11-14H,5-10H2,1-4H3;2*11-13H,4-10H2,1-3H3;10-11H,3-9H2,1-2H3;3*10H,2-9H2,1H3;7*1H3/q7*+1;7*-1
InChIKeyLYGVUVVHZLAIEZ-UHFFFAOYSA-N
MW1339.48 g/mol
LogP21.48
Rot. Bonds

About carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane

carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane (PubChem CID 161371829) has the molecular formula C88H183N7 and a molecular weight of 1339.48 g/mol. Its IUPAC name is carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane.

Molecular Properties

Compound Namecarbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane
PubChem CID161371829
Molecular FormulaC88H183N7
Molecular Weight1339.48 g/mol
Exact Mass1338.45
IUPAC Namecarbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane
SMILESCC1C(C)C(C)[N+]2(CCCCCC2)C1C.CC1CC(C)[N+]2(CCCCCC2)C1C.CC1CCCC[N+]12CCCC2.CC1CCC[N+]2(CCCC2)C1.CC1CCC[N+]2(CCCC2)C1C.CC1CC[N+]2(CCCC2)CC1.CC1C[N+]2(CCCCCC2)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C14H28N.2C13H26N.C11H22N.3C10H20N.7CH3/c1-11-12(2)14(4)15(13(11)3)9-7-5-6-8-10-15;1-11-10-14(13(3)12(11)2)8-6-4-5-7-9-14;1-11-10-12(2)14(13(11)3)8-6-4-5-7-9-14;1-10-6-5-9-12(11(10)2)7-3-4-8-12;1-10-4-8-11(9-5-10)6-2-3-7-11;1-10-5-4-8-11(9-10)6-2-3-7-11;1-10-6-2-3-7-11(10)8-4-5-9-11;;;;;;;/h11-14H,5-10H2,1-4H3;2*11-13H,4-10H2,1-3H3;10-11H,3-9H2,1-2H3;3*10H,2-9H2,1H3;7*1H3/q7*+1;7*-1
InChIKeyLYGVUVVHZLAIEZ-UHFFFAOYSA-N
XLogP21.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.48
LogP ≤ 521.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane?
The IUPAC name of carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane (CID 161371829) is carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane.
What is the SMILES notation for carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane?
The canonical SMILES for carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane is CC1C(C)C(C)[N+]2(CCCCCC2)C1C.CC1CC(C)[N+]2(CCCCCC2)C1C.CC1CCCC[N+]12CCCC2.CC1CCC[N+]2(CCCC2)C1.CC1CCC[N+]2(CCCC2)C1C.CC1CC[N+]2(CCCC2)CC1.CC1C[N+]2(CCCCCC2)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane?
The InChIKey is LYGVUVVHZLAIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N.2C13H26N.C11H22N.3C10H20N.7CH3/c1-11-12(2)14(4)15(13(11)3)9-7-5-6-8-10-15;1-11-10-14(13(3)12(11)2)8-6-4-5-7-9-14;1-11-10-12(2)14(13(11)3)8-6-4-5-7-9-14;1-10-6-5-9-12(11(10)2)7-3-4-8-12;1-10-4-8-11(9-5-10)6-2-3-7-11;1-10-5-4-8-11(9-10)6-2-3-7-11;1-10-6-2-3-7-11(10)8-4-5-9-11;;;;;;;/h11-14H,5-10H2,1-4H3;2*11-13H,4-10H2,1-3H3;10-11H,3-9H2,1-2H3;3*10H,2-9H2,1H3;7*1H3/q7*+1;7*-1.
What are the key properties of carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane?
carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane has a molecular weight of 1339.48 g/mol, XLogP of 21.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;9,10-dimethyl-5-azoniaspiro[4.5]decane;6-methyl-5-azoniaspiro[4.5]decane;8-methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane;1,2,3,4-tetramethyl-5-azoniaspiro[4.6]undecane;1,3,4-trimethyl-5-azoniaspiro[4.6]undecane;2,3,4-trimethyl-5-azoniaspiro[4.6]undecane is sourced from PubChem (CID 161371829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).