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

C86H179N7 — CID 160983175

IUPACcarbanide;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
SMILESCC1CC(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-]
InChIInChI=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
InChIKeyGWZPNUOKVOKDKW-UHFFFAOYSA-N
MW1311.43 g/mol
LogP20.41
Rot. Bonds

About 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

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.

Molecular Properties

Compound Namecarbanide;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 CID160983175
Molecular FormulaC86H179N7
Molecular Weight1311.43 g/mol
Exact Mass1310.42
IUPAC Namecarbanide;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
SMILESCC1CC(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-]
InChIInChI=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
InChIKeyGWZPNUOKVOKDKW-UHFFFAOYSA-N
XLogP20.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms93
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001311.43
LogP ≤ 520.41
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;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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 160983175) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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-].
What is the InChIKey of 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?
The InChIKey is GWZPNUOKVOKDKW-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 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?
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 has a molecular weight of 1311.43 g/mol, XLogP of 20.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160983175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).