carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+)

C27H60N6W — CID 159388087

About carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+)

carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+) (PubChem CID 159388087) has the molecular formula C27H60N6W and a molecular weight of 652.66 g/mol. Its IUPAC name is carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+).

Molecular Properties

• Compound Name: carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+)
• PubChem CID: 159388087
• Molecular Formula: C27H60N6W
• Molecular Weight: 652.66 g/mol
• Exact Mass: 652.44
• IUPAC Name: carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+)
• SMILES: C.C.CN1CC2CC1CN2C.CN1CC2CCC(C1)N2C.CN1CC2CCC(C1)N2C.[CH3-].[CH3-].[W+2]
• InChI: InChI=1S/2C8H16N2.C7H14N2.2CH4.2CH3.W/c2*1-9-5-7-3-4-8(6-9)10(7)2;1-8-4-7-3-6(8)5-9(7)2;;;;;/h2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;2*1H4;2*1H3;/q;;;;;2*-1;+2
• InChIKey: LLTKEJKZNCAQCL-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.66
LogP ≤ 5	2.96
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(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+)?

The IUPAC name of carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+) (CID 159388087) is carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+).

What is the SMILES notation for carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+)?

The canonical SMILES for carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+) is C.C.CN1CC2CC1CN2C.CN1CC2CCC(C1)N2C.CN1CC2CCC(C1)N2C.[CH3-].[CH3-].[W+2].

What is the InChIKey of carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+)?

The InChIKey is LLTKEJKZNCAQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2.C7H14N2.2CH4.2CH3.W/c2*1-9-5-7-3-4-8(6-9)10(7)2;1-8-4-7-3-6(8)5-9(7)2;;;;;/h2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;2*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(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+)?

carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+) has a molecular weight of 652.66 g/mol, XLogP of 2.96, 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(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+) is sourced from PubChem (CID 159388087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).