carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane

C89H184N6 — CID 160923622

IUPACcarbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane
SMILESCC1CCC(C)C(C)[N+]2(CCCCC2)C1.CC1CCCC(C)[N+]2(CCCCC2)C1C.CC1CCC[N+]2(CCCCC2)C(C)C1C.CC1CC[N+]2(CCCCC2)C(C)C(C)C1.CC1CC[N+]2(CCCCC2)C(C)CC1C.CC1CC[N+]2(CCCCC2)CCC1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/5C14H28N.C13H26N.6CH3/c1-12-8-7-9-13(2)15(14(12)3)10-5-4-6-11-15;1-12-7-8-13(2)14(3)15(11-12)9-5-4-6-10-15;1-12-8-7-11-15(14(3)13(12)2)9-5-4-6-10-15;1-12-7-10-15(8-5-4-6-9-15)14(3)11-13(12)2;1-12-7-10-15(8-5-4-6-9-15)14(3)13(2)11-12;1-12-6-10-14(11-7-13(12)2)8-4-3-5-9-14;;;;;;/h5*12-14H,4-11H2,1-3H3;12-13H,3-11H2,1-2H3;6*1H3/q6*+1;6*-1
InChIKeyJQQKCSAKNPSVAH-UHFFFAOYSA-N
MW1338.49 g/mol
LogP23.11
Rot. Bonds

About carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane

carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane (PubChem CID 160923622) has the molecular formula C89H184N6 and a molecular weight of 1338.49 g/mol. Its IUPAC name is carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane.

Molecular Properties

Compound Namecarbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane
PubChem CID160923622
Molecular FormulaC89H184N6
Molecular Weight1338.49 g/mol
Exact Mass1337.46
IUPAC Namecarbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane
SMILESCC1CCC(C)C(C)[N+]2(CCCCC2)C1.CC1CCCC(C)[N+]2(CCCCC2)C1C.CC1CCC[N+]2(CCCCC2)C(C)C1C.CC1CC[N+]2(CCCCC2)C(C)C(C)C1.CC1CC[N+]2(CCCCC2)C(C)CC1C.CC1CC[N+]2(CCCCC2)CCC1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/5C14H28N.C13H26N.6CH3/c1-12-8-7-9-13(2)15(14(12)3)10-5-4-6-11-15;1-12-7-8-13(2)14(3)15(11-12)9-5-4-6-10-15;1-12-8-7-11-15(14(3)13(12)2)9-5-4-6-10-15;1-12-7-10-15(8-5-4-6-9-15)14(3)11-13(12)2;1-12-7-10-15(8-5-4-6-9-15)14(3)13(2)11-12;1-12-6-10-14(11-7-13(12)2)8-4-3-5-9-14;;;;;;/h5*12-14H,4-11H2,1-3H3;12-13H,3-11H2,1-2H3;6*1H3/q6*+1;6*-1
InChIKeyJQQKCSAKNPSVAH-UHFFFAOYSA-N
XLogP23.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001338.49
LogP ≤ 523.11
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-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane with MolForge

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Related Compounds

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CID 159997975
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CID 67680689
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CID 156188373
1-Azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane
CID 157076819
Carbanide;7,12-dimethyl-6-azoniaspiro[5.6]dodecane;8,11-dimethyl-6-azoniaspiro[5.6]dodecane;8,12-dimethyl-6-azoniaspiro[5.6]dodecane;9,11-dimethyl-6-azoniaspiro[5.6]dodecane;9,12-dimethyl-6-azoniaspiro[5.6]dodecane;10,11-dimethyl-6-azoniaspiro[5.6]dodecane
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CID 157710910
1,2-Dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium
CID 158191215
Bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine
CID 158261989
Carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane
CID 158563052
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CID 158632587
Carbanide;1,2,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,5-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,4-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,5-trimethyl-6-azoniaspiro[5.6]dodecane
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CID 159205798

Frequently Asked Questions

What is the IUPAC name of carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane?
The IUPAC name of carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane (CID 160923622) is carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane.
What is the SMILES notation for carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane?
The canonical SMILES for carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane is CC1CCC(C)C(C)[N+]2(CCCCC2)C1.CC1CCCC(C)[N+]2(CCCCC2)C1C.CC1CCC[N+]2(CCCCC2)C(C)C1C.CC1CC[N+]2(CCCCC2)C(C)C(C)C1.CC1CC[N+]2(CCCCC2)C(C)CC1C.CC1CC[N+]2(CCCCC2)CCC1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane?
The InChIKey is JQQKCSAKNPSVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C14H28N.C13H26N.6CH3/c1-12-8-7-9-13(2)15(14(12)3)10-5-4-6-11-15;1-12-7-8-13(2)14(3)15(11-12)9-5-4-6-10-15;1-12-8-7-11-15(14(3)13(12)2)9-5-4-6-10-15;1-12-7-10-15(8-5-4-6-9-15)14(3)11-13(12)2;1-12-7-10-15(8-5-4-6-9-15)14(3)13(2)11-12;1-12-6-10-14(11-7-13(12)2)8-4-3-5-9-14;;;;;;/h5*12-14H,4-11H2,1-3H3;12-13H,3-11H2,1-2H3;6*1H3/q6*+1;6*-1.
What are the key properties of carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane?
carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane has a molecular weight of 1338.49 g/mol, XLogP of 23.11, 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-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane is sourced from PubChem (CID 160923622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).