5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)

C15H25NV3 — CID 58055247

IUPAC5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
SMILESCC(C)(C)CCc1c[c-]cnc1.C[C-](C)C.[V+2].[V].[V]
InChIInChI=1S/C11H16N.C4H9.3V/c1-11(2,3)7-6-10-5-4-8-12-9-10;1-4(2)3;;;/h5,8-9H,6-7H2,1-3H3;1-3H3;;;/q2*-1;;;+2
InChIKeyNSKWPMVIJISNED-UHFFFAOYSA-N
MW372.20 g/mol
LogP4.47
Rot. Bonds2

About 5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)

5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+) (PubChem CID 58055247) has the molecular formula C15H25NV3 and a molecular weight of 372.20 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+).

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
PubChem CID58055247
Molecular FormulaC15H25NV3
Molecular Weight372.20 g/mol
Exact Mass372.03
IUPAC Name5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
SMILESCC(C)(C)CCc1c[c-]cnc1.C[C-](C)C.[V+2].[V].[V]
InChIInChI=1S/C11H16N.C4H9.3V/c1-11(2,3)7-6-10-5-4-8-12-9-10;1-4(2)3;;;/h5,8-9H,6-7H2,1-3H3;1-3H3;;;/q2*-1;;;+2
InChIKeyNSKWPMVIJISNED-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

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CID 14927387
5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055184
4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055339
5-methanidyl-3H-pyridin-3-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
CID 58055620
propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+)
CID 58748040
5-tert-butyl-3H-pyridin-3-ide;yttrium
CID 59698764
N-(2-ethyl-3,3,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 67968391
N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine
CID 123531864
N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine
CID 130346378
N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 137430122
N-[(1Z,3Z)-3-tert-butyl-2-methylpenta-1,3-dienyl]methanimine
CID 138572934
N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine
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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
The IUPAC name of 5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+) (CID 58055247) is 5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+).
What is the SMILES notation for 5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
The canonical SMILES for 5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+) is CC(C)(C)CCc1c[c-]cnc1.C[C-](C)C.[V+2].[V].[V].
What is the InChIKey of 5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
The InChIKey is NSKWPMVIJISNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N.C4H9.3V/c1-11(2,3)7-6-10-5-4-8-12-9-10;1-4(2)3;;;/h5,8-9H,6-7H2,1-3H3;1-3H3;;;/q2*-1;;;+2.
What are the key properties of 5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)?
5-(3,3-dimethylbutyl)-3H-pyridin-3-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 5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+) is sourced from PubChem (CID 58055247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).