N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten

C8H12N2W — CID 58582846

IUPACN,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten
SMILESCNc1c[c-][n+](C)c(C)c1.[W]
InChIInChI=1S/C8H12N2.W/c1-7-6-8(9-2)4-5-10(7)3;/h4,6,9H,1-3H3;
InChIKeyCQZPXFOYJRSRCY-UHFFFAOYSA-N
MW320.04 g/mol
LogP0.66
Rot. Bonds1

About N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten

N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten (PubChem CID 58582846) has the molecular formula C8H12N2W and a molecular weight of 320.04 g/mol. Its IUPAC name is N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten.

Molecular Properties

Compound NameN,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten
PubChem CID58582846
Molecular FormulaC8H12N2W
Molecular Weight320.04 g/mol
Exact Mass320.05
IUPAC NameN,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten
SMILESCNc1c[c-][n+](C)c(C)c1.[W]
InChIInChI=1S/C8H12N2.W/c1-7-6-8(9-2)4-5-10(7)3;/h4,6,9H,1-3H3;
InChIKeyCQZPXFOYJRSRCY-UHFFFAOYSA-N
XLogP0.66
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.04
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten?
The IUPAC name of N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten (CID 58582846) is N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten.
What is the SMILES notation for N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten?
The canonical SMILES for N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten is CNc1c[c-][n+](C)c(C)c1.[W].
What is the InChIKey of N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten?
The InChIKey is CQZPXFOYJRSRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.W/c1-7-6-8(9-2)4-5-10(7)3;/h4,6,9H,1-3H3;.
What are the key properties of N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten?
N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten has a molecular weight of 320.04 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,6-trimethyl-2H-pyridin-1-ium-2-id-4-amine;tungsten is sourced from PubChem (CID 58582846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).