carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane

C97H201N7 — CID 158632587

IUPACcarbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane
SMILESCC1C(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CCC(C)[N+]2(CCCCCC2)C1.CC1CCCC[N+]12CCCCCC2.CC1CCC[N+]2(CCCCCC2)C1.CC1CCC[N+]2(CCCCCC2)C1C.CC1CC[N+]2(CCCCCC2)C(C)C1.CC1CC[N+]2(CCCCCC2)CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C15H30N.3C13H26N.3C12H24N.7CH3/c1-11-12(2)14(4)16(15(5)13(11)3)9-7-6-8-10-16;1-12-7-8-13(2)14(11-12)9-5-3-4-6-10-14;1-12-8-7-11-14(13(12)2)9-5-3-4-6-10-14;1-12-7-10-14(13(2)11-12)8-5-3-4-6-9-14;1-12-8-4-7-11-13(12)9-5-2-3-6-10-13;1-12-6-10-13(11-7-12)8-4-2-3-5-9-13;1-12-7-6-10-13(11-12)8-4-2-3-5-9-13;;;;;;;/h11-15H,6-10H2,1-5H3;3*12-13H,3-11H2,1-2H3;3*12H,2-11H2,1H3;7*1H3/q7*+1;7*-1
InChIKeyLLOIOUJVBTZOAP-UHFFFAOYSA-N
MW1465.72 g/mol
LogP24.99
Rot. Bonds

About carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane

carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane (PubChem CID 158632587) has the molecular formula C97H201N7 and a molecular weight of 1465.72 g/mol. Its IUPAC name is carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane.

Molecular Properties

Compound Namecarbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane
PubChem CID158632587
Molecular FormulaC97H201N7
Molecular Weight1465.72 g/mol
Exact Mass1464.59
IUPAC Namecarbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane
SMILESCC1C(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CCC(C)[N+]2(CCCCCC2)C1.CC1CCCC[N+]12CCCCCC2.CC1CCC[N+]2(CCCCCC2)C1.CC1CCC[N+]2(CCCCCC2)C1C.CC1CC[N+]2(CCCCCC2)C(C)C1.CC1CC[N+]2(CCCCCC2)CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C15H30N.3C13H26N.3C12H24N.7CH3/c1-11-12(2)14(4)16(15(5)13(11)3)9-7-6-8-10-16;1-12-7-8-13(2)14(11-12)9-5-3-4-6-10-14;1-12-8-7-11-14(13(12)2)9-5-3-4-6-10-14;1-12-7-10-14(13(2)11-12)8-5-3-4-6-9-14;1-12-8-4-7-11-13(12)9-5-2-3-6-10-13;1-12-6-10-13(11-7-12)8-4-2-3-5-9-13;1-12-7-6-10-13(11-12)8-4-2-3-5-9-13;;;;;;;/h11-15H,6-10H2,1-5H3;3*12-13H,3-11H2,1-2H3;3*12H,2-11H2,1H3;7*1H3/q7*+1;7*-1
InChIKeyLLOIOUJVBTZOAP-UHFFFAOYSA-N
XLogP24.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001465.72
LogP ≤ 524.99
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;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane with MolForge

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Related Compounds

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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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1,4-Diazatricyclo[4.3.1.13,8]undecane;ethane;bis(4-ethyl-1,4-diazatricyclo[4.3.1.13,8]undecane);propane
CID 159701543

Frequently Asked Questions

What is the IUPAC name of carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane?
The IUPAC name of carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane (CID 158632587) is carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane.
What is the SMILES notation for carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane?
The canonical SMILES for carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane is CC1C(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CCC(C)[N+]2(CCCCCC2)C1.CC1CCCC[N+]12CCCCCC2.CC1CCC[N+]2(CCCCCC2)C1.CC1CCC[N+]2(CCCCCC2)C1C.CC1CC[N+]2(CCCCCC2)C(C)C1.CC1CC[N+]2(CCCCCC2)CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane?
The InChIKey is LLOIOUJVBTZOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N.3C13H26N.3C12H24N.7CH3/c1-11-12(2)14(4)16(15(5)13(11)3)9-7-6-8-10-16;1-12-7-8-13(2)14(11-12)9-5-3-4-6-10-14;1-12-8-7-11-14(13(12)2)9-5-3-4-6-10-14;1-12-7-10-14(13(2)11-12)8-5-3-4-6-9-14;1-12-8-4-7-11-13(12)9-5-2-3-6-10-13;1-12-6-10-13(11-7-12)8-4-2-3-5-9-13;1-12-7-6-10-13(11-12)8-4-2-3-5-9-13;;;;;;;/h11-15H,6-10H2,1-5H3;3*12-13H,3-11H2,1-2H3;3*12H,2-11H2,1H3;7*1H3/q7*+1;7*-1.
What are the key properties of carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane?
carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane has a molecular weight of 1465.72 g/mol, XLogP of 24.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane is sourced from PubChem (CID 158632587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).