potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide

C15H23KN- — CID 58573179

IUPACpotassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide
SMILES[CH2-]C(c1[c-]cccn1)(C(C)(C)C)C(C)(C)C.[K+]
InChIInChI=1S/C15H23N.K/c1-13(2,3)15(7,14(4,5)6)12-10-8-9-11-16-12;/h8-9,11H,7H2,1-6H3;/q-2;+1
InChIKeyVZGJDTMKALPODX-UHFFFAOYSA-N
MW256.45 g/mol
LogP1.05
Rot. Bonds1

About potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide

potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide (PubChem CID 58573179) has the molecular formula C15H23KN- and a molecular weight of 256.45 g/mol. Its IUPAC name is potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide.

Molecular Properties

Compound Namepotassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide
PubChem CID58573179
Molecular FormulaC15H23KN-
Molecular Weight256.45 g/mol
Exact Mass256.15
IUPAC Namepotassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide
SMILES[CH2-]C(c1[c-]cccn1)(C(C)(C)C)C(C)(C)C.[K+]
InChIInChI=1S/C15H23N.K/c1-13(2,3)15(7,14(4,5)6)12-10-8-9-11-16-12;/h8-9,11H,7H2,1-6H3;/q-2;+1
InChIKeyVZGJDTMKALPODX-UHFFFAOYSA-N
XLogP1.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.45
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide?
The IUPAC name of potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide (CID 58573179) is potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide.
What is the SMILES notation for potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide?
The canonical SMILES for potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide is [CH2-]C(c1[c-]cccn1)(C(C)(C)C)C(C)(C)C.[K+].
What is the InChIKey of potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide?
The InChIKey is VZGJDTMKALPODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.K/c1-13(2,3)15(7,14(4,5)6)12-10-8-9-11-16-12;/h8-9,11H,7H2,1-6H3;/q-2;+1.
What are the key properties of potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide?
potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide has a molecular weight of 256.45 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(3-methanidyl-2,2,4,4-tetramethylpentan-3-yl)-3H-pyridin-3-ide is sourced from PubChem (CID 58573179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).