4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)

C15H25NV3 — CID 58055339

IUPAC4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
SMILESCC(C)(C)CCc1c[c-]ncc1.C[C-](C)C.[V+2].[V].[V]
InChIInChI=1S/C11H16N.C4H9.3V/c1-11(2,3)7-4-10-5-8-12-9-6-10;1-4(2)3;;;/h5-6,8H,4,7H2,1-3H3;1-3H3;;;/q2*-1;;;+2
InChIKeyDXIBGPAOYLJKJA-UHFFFAOYSA-N
MW372.20 g/mol
LogP4.47
Rot. Bonds2

About 4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)

4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+) (PubChem CID 58055339) has the molecular formula C15H25NV3 and a molecular weight of 372.20 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+).

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
PubChem CID58055339
Molecular FormulaC15H25NV3
Molecular Weight372.20 g/mol
Exact Mass372.03
IUPAC Name4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
SMILESCC(C)(C)CCc1c[c-]ncc1.C[C-](C)C.[V+2].[V].[V]
InChIInChI=1S/C11H16N.C4H9.3V/c1-11(2,3)7-4-10-5-8-12-9-6-10;1-4(2)3;;;/h5-6,8H,4,7H2,1-3H3;1-3H3;;;/q2*-1;;;+2
InChIKeyDXIBGPAOYLJKJA-UHFFFAOYSA-N
XLogP4.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 54.47
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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Related Compounds

4-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708313
potassium 5-tert-butyl-2H-pyridin-2-ide
CID 57882004
2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055106
5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055184
5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055247
6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055324
propane;4-propan-2-yl-2H-pyridin-2-ide;vanadium(2+)
CID 58748074
4-tert-butyl-2H-pyridin-2-ide;yttrium
CID 59698785
5-tert-butyl-2H-pyridin-2-ide;rutherfordium
CID 59879073
5-tert-butyl-2H-pyridin-2-ide;rubidium(1+)
CID 59985765
(2E)-3-tert-butyl-N-[(E)-prop-1-enyl]penta-2,4-dien-1-imine
CID 126626173
N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine
CID 130313510

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
The IUPAC name of 4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+) (CID 58055339) is 4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+).
What is the SMILES notation for 4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
The canonical SMILES for 4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+) is CC(C)(C)CCc1c[c-]ncc1.C[C-](C)C.[V+2].[V].[V].
What is the InChIKey of 4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
The InChIKey is DXIBGPAOYLJKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N.C4H9.3V/c1-11(2,3)7-4-10-5-8-12-9-6-10;1-4(2)3;;;/h5-6,8H,4,7H2,1-3H3;1-3H3;;;/q2*-1;;;+2.
What are the key properties of 4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+) has a molecular weight of 372.20 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+) is sourced from PubChem (CID 58055339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).