2-methylbutan-2-yliminoniobium;propane

C11H25NNb-2 — CID 155791399

IUPAC2-methylbutan-2-yliminoniobium;propane
SMILESCCC(C)(C)N=[Nb].C[CH-]C.C[CH-]C
InChIInChI=1S/C5H11N.2C3H7.Nb/c1-4-5(2,3)6;2*1-3-2;/h4H2,1-3H3;2*3H,1-2H3;/q;2*-1;
InChIKeyDRASMWPLJWLNHE-UHFFFAOYSA-N
MW264.23 g/mol
LogP4.37
Rot. Bonds2

About 2-methylbutan-2-yliminoniobium;propane

2-methylbutan-2-yliminoniobium;propane (PubChem CID 155791399) has the molecular formula C11H25NNb-2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-methylbutan-2-yliminoniobium;propane.

Molecular Properties

Compound Name2-methylbutan-2-yliminoniobium;propane
PubChem CID155791399
Molecular FormulaC11H25NNb-2
Molecular Weight264.23 g/mol
Exact Mass264.11
IUPAC Name2-methylbutan-2-yliminoniobium;propane
SMILESCCC(C)(C)N=[Nb].C[CH-]C.C[CH-]C
InChIInChI=1S/C5H11N.2C3H7.Nb/c1-4-5(2,3)6;2*1-3-2;/h4H2,1-3H3;2*3H,1-2H3;/q;2*-1;
InChIKeyDRASMWPLJWLNHE-UHFFFAOYSA-N
XLogP4.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 54.37
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 2-methylbutan-2-yliminoniobium;propane?
The IUPAC name of 2-methylbutan-2-yliminoniobium;propane (CID 155791399) is 2-methylbutan-2-yliminoniobium;propane.
What is the SMILES notation for 2-methylbutan-2-yliminoniobium;propane?
The canonical SMILES for 2-methylbutan-2-yliminoniobium;propane is CCC(C)(C)N=[Nb].C[CH-]C.C[CH-]C.
What is the InChIKey of 2-methylbutan-2-yliminoniobium;propane?
The InChIKey is DRASMWPLJWLNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.2C3H7.Nb/c1-4-5(2,3)6;2*1-3-2;/h4H2,1-3H3;2*3H,1-2H3;/q;2*-1;.
What are the key properties of 2-methylbutan-2-yliminoniobium;propane?
2-methylbutan-2-yliminoniobium;propane has a molecular weight of 264.23 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yliminoniobium;propane is sourced from PubChem (CID 155791399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).