2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium

C20H42NV-3 — CID 134898427

IUPAC2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium
SMILESCC(C)(C)C#N.[CH2-]C(C)(C)C.[CH2-]C(C)(C)C.[CH2-]C(C)(C)C.[V]
InChIInChI=1S/C5H9N.3C5H11.V/c1-5(2,3)4-6;3*1-5(2,3)4;/h1-3H3;3*1H2,2-4H3;/q;3*-1;
InChIKeyBMBROEXTIUGBAZ-UHFFFAOYSA-N
MW347.51 g/mol
LogP7.15
Rot. Bonds

About 2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium

2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium (PubChem CID 134898427) has the molecular formula C20H42NV-3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium.

Molecular Properties

Compound Name2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium
PubChem CID134898427
Molecular FormulaC20H42NV-3
Molecular Weight347.51 g/mol
Exact Mass347.28
IUPAC Name2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium
SMILESCC(C)(C)C#N.[CH2-]C(C)(C)C.[CH2-]C(C)(C)C.[CH2-]C(C)(C)C.[V]
InChIInChI=1S/C5H9N.3C5H11.V/c1-5(2,3)4-6;3*1-5(2,3)4;/h1-3H3;3*1H2,2-4H3;/q;3*-1;
InChIKeyBMBROEXTIUGBAZ-UHFFFAOYSA-N
XLogP7.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 57.15
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

2-methanidyl-2-methylpropane;palladium
CID 163183764
lithium 2-methanidyl-2-methylpropane
CID 10898631
manganese;2-methanidyl-2-methylpropane
CID 15914338
dilithium;2-methanidyl-2-methylpropane
CID 14120101
2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
CID 159256086
2-methanidyl-2-methylpropane;rhenium;yttrium
CID 58594735
2,2-dimethylpropanenitrile;methane;2-methylpropanal
CID 159993493
2,2-dichloropropanenitrile
CID 5058831
2-fluoro-2-methylpropanenitrile
CID 10129896
4,4-dimethylpent-2-yn-1-ol;2,2-dimethylpropanenitrile
CID 158218552
2-tert-butyl-2,3,3-trimethylbutanenitrile
CID 20714171
ethane;2-hydroxy-2-methylpropanenitrile
CID 164588960

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium?
The IUPAC name of 2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium (CID 134898427) is 2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium.
What is the SMILES notation for 2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium?
The canonical SMILES for 2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium is CC(C)(C)C#N.[CH2-]C(C)(C)C.[CH2-]C(C)(C)C.[CH2-]C(C)(C)C.[V].
What is the InChIKey of 2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium?
The InChIKey is BMBROEXTIUGBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.3C5H11.V/c1-5(2,3)4-6;3*1-5(2,3)4;/h1-3H3;3*1H2,2-4H3;/q;3*-1;.
What are the key properties of 2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium?
2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium has a molecular weight of 347.51 g/mol, XLogP of 7.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium is sourced from PubChem (CID 134898427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).