carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)

C26H60N6W — CID 159563963

About carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)

carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+) (PubChem CID 159563963) has the molecular formula C26H60N6W and a molecular weight of 640.65 g/mol. Its IUPAC name is carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+).

Molecular Properties

• Compound Name: carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)
• PubChem CID: 159563963
• Molecular Formula: C26H60N6W
• Molecular Weight: 640.65 g/mol
• Exact Mass: 640.44
• IUPAC Name: carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)
• SMILES: C.C.C.CN1CC2CC(C1)N2C.CN1CC2CC(C1)N2C.CN1CC2CC1CN2C.[CH3-].[CH3-].[W+2]
• InChI: InChI=1S/3C7H14N2.3CH4.2CH3.W/c1-8-4-7-3-6(8)5-9(7)2;2*1-8-4-6-3-7(5-8)9(6)2;;;;;;/h3*6-7H,3-5H2,1-2H3;3*1H4;2*1H3;/q;;;;;;2*-1;+2
• InChIKey: MGYXALFUWOWFFT-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.65
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)?

The IUPAC name of carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+) (CID 159563963) is carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+).

What is the SMILES notation for carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)?

The canonical SMILES for carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+) is C.C.C.CN1CC2CC(C1)N2C.CN1CC2CC(C1)N2C.CN1CC2CC1CN2C.[CH3-].[CH3-].[W+2].

What is the InChIKey of carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)?

The InChIKey is MGYXALFUWOWFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H14N2.3CH4.2CH3.W/c1-8-4-7-3-6(8)5-9(7)2;2*1-8-4-6-3-7(5-8)9(6)2;;;;;;/h3*6-7H,3-5H2,1-2H3;3*1H4;2*1H3;/q;;;;;;2*-1;+2.

What are the key properties of carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)?

carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+) has a molecular weight of 640.65 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+) is sourced from PubChem (CID 159563963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).