carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane

C96H200N8 — CID 160641412

IUPACcarbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane
SMILESCC1CC(C)[N+]2(CCCCC2)C1.CC1CC(C)[N+]2(CCCCC2)C1C.CC1CCC(C)[N+]12CCCCC2.CC1CCC[N+]12CCCCC2.CC1CC[N+]2(CCCCC2)C1.CC1CC[N+]2(CCCCC2)C1C.CC1C[N+]2(CCCCC2)C(C)C1C.CC1C[N+]2(CCCCC2)CC1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/2C12H24N.4C11H22N.2C10H20N.8CH3/c1-10-9-13(12(3)11(10)2)7-5-4-6-8-13;1-10-9-11(2)13(12(10)3)7-5-4-6-8-13;1-10-6-7-11(2)12(10)8-4-3-5-9-12;1-10-6-9-12(11(10)2)7-4-3-5-8-12;1-10-8-12(9-11(10)2)6-4-3-5-7-12;1-10-8-11(2)12(9-10)6-4-3-5-7-12;1-10-6-5-9-11(10)7-3-2-4-8-11;1-10-5-8-11(9-10)6-3-2-4-7-11;;;;;;;;/h2*10-12H,4-9H2,1-3H3;4*10-11H,3-9H2,1-2H3;2*10H,2-9H2,1H3;8*1H3/q8*+1;8*-1
InChIKeyZWTFFGBNMILCNV-UHFFFAOYSA-N
MW1466.71 g/mol
LogP22.93
Rot. Bonds

About carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane

carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane (PubChem CID 160641412) has the molecular formula C96H200N8 and a molecular weight of 1466.71 g/mol. Its IUPAC name is carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Namecarbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane
PubChem CID160641412
Molecular FormulaC96H200N8
Molecular Weight1466.71 g/mol
Exact Mass1465.59
IUPAC Namecarbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane
SMILESCC1CC(C)[N+]2(CCCCC2)C1.CC1CC(C)[N+]2(CCCCC2)C1C.CC1CCC(C)[N+]12CCCCC2.CC1CCC[N+]12CCCCC2.CC1CC[N+]2(CCCCC2)C1.CC1CC[N+]2(CCCCC2)C1C.CC1C[N+]2(CCCCC2)C(C)C1C.CC1C[N+]2(CCCCC2)CC1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/2C12H24N.4C11H22N.2C10H20N.8CH3/c1-10-9-13(12(3)11(10)2)7-5-4-6-8-13;1-10-9-11(2)13(12(10)3)7-5-4-6-8-13;1-10-6-7-11(2)12(10)8-4-3-5-9-12;1-10-6-9-12(11(10)2)7-4-3-5-8-12;1-10-8-12(9-11(10)2)6-4-3-5-7-12;1-10-8-11(2)12(9-10)6-4-3-5-7-12;1-10-6-5-9-11(10)7-3-2-4-8-11;1-10-5-8-11(9-10)6-3-2-4-7-11;;;;;;;;/h2*10-12H,4-9H2,1-3H3;4*10-11H,3-9H2,1-2H3;2*10H,2-9H2,1H3;8*1H3/q8*+1;8*-1
InChIKeyZWTFFGBNMILCNV-UHFFFAOYSA-N
XLogP22.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms104
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001466.71
LogP ≤ 522.93
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;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane?
The IUPAC name of carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane (CID 160641412) is carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane.
What is the SMILES notation for carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane?
The canonical SMILES for carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane is CC1CC(C)[N+]2(CCCCC2)C1.CC1CC(C)[N+]2(CCCCC2)C1C.CC1CCC(C)[N+]12CCCCC2.CC1CCC[N+]12CCCCC2.CC1CC[N+]2(CCCCC2)C1.CC1CC[N+]2(CCCCC2)C1C.CC1C[N+]2(CCCCC2)C(C)C1C.CC1C[N+]2(CCCCC2)CC1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane?
The InChIKey is ZWTFFGBNMILCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24N.4C11H22N.2C10H20N.8CH3/c1-10-9-13(12(3)11(10)2)7-5-4-6-8-13;1-10-9-11(2)13(12(10)3)7-5-4-6-8-13;1-10-6-7-11(2)12(10)8-4-3-5-9-12;1-10-6-9-12(11(10)2)7-4-3-5-8-12;1-10-8-12(9-11(10)2)6-4-3-5-7-12;1-10-8-11(2)12(9-10)6-4-3-5-7-12;1-10-6-5-9-11(10)7-3-2-4-8-11;1-10-5-8-11(9-10)6-3-2-4-7-11;;;;;;;;/h2*10-12H,4-9H2,1-3H3;4*10-11H,3-9H2,1-2H3;2*10H,2-9H2,1H3;8*1H3/q8*+1;8*-1.
What are the key properties of carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane?
carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane has a molecular weight of 1466.71 g/mol, XLogP of 22.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 160641412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).