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

C15H25NV3 — CID 58055106

IUPAC2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+)
SMILESCC(C)(C)CCc1c[c-]ccn1.C[C-](C)C.[V+2].[V].[V]
InChIInChI=1S/C11H16N.C4H9.3V/c1-11(2,3)8-7-10-6-4-5-9-12-10;1-4(2)3;;;/h5-6,9H,7-8H2,1-3H3;1-3H3;;;/q2*-1;;;+2
InChIKeyOPJQWKZHFGUWEC-UHFFFAOYSA-N
MW372.20 g/mol
LogP4.47
Rot. Bonds2

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

2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+) (PubChem CID 58055106) has the molecular formula C15H25NV3 and a molecular weight of 372.20 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+).

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+)
PubChem CID58055106
Molecular FormulaC15H25NV3
Molecular Weight372.20 g/mol
Exact Mass372.03
IUPAC Name2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+)
SMILESCC(C)(C)CCc1c[c-]ccn1.C[C-](C)C.[V+2].[V].[V]
InChIInChI=1S/C11H16N.C4H9.3V/c1-11(2,3)8-7-10-6-4-5-9-12-10;1-4(2)3;;;/h5-6,9H,7-8H2,1-3H3;1-3H3;;;/q2*-1;;;+2
InChIKeyOPJQWKZHFGUWEC-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

3H-Azepine, 2,5-bis(1,1-dimethylethyl)-
CID 10998164
5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055184
6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055324
4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055339
propane;2-propan-2-yl-4H-pyridin-4-ide;vanadium(2+)
CID 58748015
6-tert-butyl-3H-pyridin-3-ide;vanadium
CID 59262999
2-tert-butyl-4H-pyridin-4-ide;yttrium
CID 59698759
6-tert-butyl-3H-pyridin-3-ide;rubidium(1+)
CID 59985787
6-(2,2-dimethylpropyl)-7-methyl-4H-azepine
CID 67560950
4,4-dimethyl-4aH-quinoline
CID 68272822
2-tert-butyl-4-ethyl-3H-azepine
CID 90743305
(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine
CID 91866614

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
The IUPAC name of 2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+) (CID 58055106) is 2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+).
What is the SMILES notation for 2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
The canonical SMILES for 2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+) is CC(C)(C)CCc1c[c-]ccn1.C[C-](C)C.[V+2].[V].[V].
What is the InChIKey of 2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
The InChIKey is OPJQWKZHFGUWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N.C4H9.3V/c1-11(2,3)8-7-10-6-4-5-9-12-10;1-4(2)3;;;/h5-6,9H,7-8H2,1-3H3;1-3H3;;;/q2*-1;;;+2.
What are the key properties of 2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
2-(3,3-dimethylbutyl)-4H-pyridin-4-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 2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+) is sourced from PubChem (CID 58055106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).