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

C93H192N6 — CID 159092012

IUPACcarbanide;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
SMILESCC1CC(C)C(C)[N+]2(CCCCCC2)C1C.CC1CC(C)[N+]2(CCCCCC2)C(C)C1.CC1CC(C)[N+]2(CCCCCC2)C(C)C1C.CC1CC(C)[N+]2(CCCCCC2)CC1C.CC1C[N+]2(CCCCCC2)C(C)C(C)C1C.CC1C[N+]2(CCCCCC2)CC(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/3C15H30N.3C14H28N.6CH3/c1-12-11-16(9-7-5-6-8-10-16)15(4)14(3)13(12)2;1-12-11-13(2)16(15(4)14(12)3)9-7-5-6-8-10-16;1-12-11-13(2)15(4)16(14(12)3)9-7-5-6-8-10-16;1-12-10-15(11-13(2)14(12)3)8-6-4-5-7-9-15;1-12-10-14(3)15(11-13(12)2)8-6-4-5-7-9-15;1-12-10-13(2)15(14(3)11-12)8-6-4-5-7-9-15;;;;;;/h3*12-15H,5-11H2,1-4H3;3*12-14H,4-11H2,1-3H3;6*1H3/q6*+1;6*-1
InChIKeyUTLBLZCHPPWZFZ-UHFFFAOYSA-N
MW1394.60 g/mol
LogP24.37
Rot. Bonds

About 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

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 (PubChem CID 159092012) has the molecular formula C93H192N6 and a molecular weight of 1394.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecarbanide;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
PubChem CID159092012
Molecular FormulaC93H192N6
Molecular Weight1394.60 g/mol
Exact Mass1393.52
IUPAC Namecarbanide;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
SMILESCC1CC(C)C(C)[N+]2(CCCCCC2)C1C.CC1CC(C)[N+]2(CCCCCC2)C(C)C1.CC1CC(C)[N+]2(CCCCCC2)C(C)C1C.CC1CC(C)[N+]2(CCCCCC2)CC1C.CC1C[N+]2(CCCCCC2)C(C)C(C)C1C.CC1C[N+]2(CCCCCC2)CC(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/3C15H30N.3C14H28N.6CH3/c1-12-11-16(9-7-5-6-8-10-16)15(4)14(3)13(12)2;1-12-11-13(2)16(15(4)14(12)3)9-7-5-6-8-10-16;1-12-11-13(2)15(4)16(14(12)3)9-7-5-6-8-10-16;1-12-10-15(11-13(2)14(12)3)8-6-4-5-7-9-15;1-12-10-14(3)15(11-13(12)2)8-6-4-5-7-9-15;1-12-10-13(2)15(14(3)11-12)8-6-4-5-7-9-15;;;;;;/h3*12-15H,5-11H2,1-4H3;3*12-14H,4-11H2,1-3H3;6*1H3/q6*+1;6*-1
InChIKeyUTLBLZCHPPWZFZ-UHFFFAOYSA-N
XLogP24.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001394.60
LogP ≤ 524.37
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;1,2,4,5-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 with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 159092012) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(C)C(C)[N+]2(CCCCCC2)C1C.CC1CC(C)[N+]2(CCCCCC2)C(C)C1.CC1CC(C)[N+]2(CCCCCC2)C(C)C1C.CC1CC(C)[N+]2(CCCCCC2)CC1C.CC1C[N+]2(CCCCCC2)C(C)C(C)C1C.CC1C[N+]2(CCCCCC2)CC(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of 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?
The InChIKey is UTLBLZCHPPWZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H30N.3C14H28N.6CH3/c1-12-11-16(9-7-5-6-8-10-16)15(4)14(3)13(12)2;1-12-11-13(2)16(15(4)14(12)3)9-7-5-6-8-10-16;1-12-11-13(2)15(4)16(14(12)3)9-7-5-6-8-10-16;1-12-10-15(11-13(2)14(12)3)8-6-4-5-7-9-15;1-12-10-14(3)15(11-13(12)2)8-6-4-5-7-9-15;1-12-10-13(2)15(14(3)11-12)8-6-4-5-7-9-15;;;;;;/h3*12-15H,5-11H2,1-4H3;3*12-14H,4-11H2,1-3H3;6*1H3/q6*+1;6*-1.
What are the key properties of 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?
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 has a molecular weight of 1394.60 g/mol, XLogP of 24.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159092012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).