butane;bis(dimethylazanide);tantalum(2+)

C12H30N2Ta-2 — CID 21417797

IUPACbutane;bis(dimethylazanide);tantalum(2+)
SMILESC[N-]C.C[N-]C.[CH2-]CCC.[CH2-]CCC.[Ta+2]
InChIInChI=1S/2C4H9.2C2H6N.Ta/c2*1-3-4-2;2*1-3-2;/h2*1,3-4H2,2H3;2*1-2H3;/q4*-1;+2
InChIKeyDHSQYLAEEZMJBN-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.48
Rot. Bonds2

About butane;bis(dimethylazanide);tantalum(2+)

butane;bis(dimethylazanide);tantalum(2+) (PubChem CID 21417797) has the molecular formula C12H30N2Ta-2 and a molecular weight of 383.33 g/mol. Its IUPAC name is butane;bis(dimethylazanide);tantalum(2+).

Molecular Properties

Compound Namebutane;bis(dimethylazanide);tantalum(2+)
PubChem CID21417797
Molecular FormulaC12H30N2Ta-2
Molecular Weight383.33 g/mol
Exact Mass383.19
IUPAC Namebutane;bis(dimethylazanide);tantalum(2+)
SMILESC[N-]C.C[N-]C.[CH2-]CCC.[CH2-]CCC.[Ta+2]
InChIInChI=1S/2C4H9.2C2H6N.Ta/c2*1-3-4-2;2*1-3-2;/h2*1,3-4H2,2H3;2*1-2H3;/q4*-1;+2
InChIKeyDHSQYLAEEZMJBN-UHFFFAOYSA-N
XLogP4.48
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 butane;bis(dimethylazanide);tantalum(2+)?
The IUPAC name of butane;bis(dimethylazanide);tantalum(2+) (CID 21417797) is butane;bis(dimethylazanide);tantalum(2+).
What is the SMILES notation for butane;bis(dimethylazanide);tantalum(2+)?
The canonical SMILES for butane;bis(dimethylazanide);tantalum(2+) is C[N-]C.C[N-]C.[CH2-]CCC.[CH2-]CCC.[Ta+2].
What is the InChIKey of butane;bis(dimethylazanide);tantalum(2+)?
The InChIKey is DHSQYLAEEZMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.2C2H6N.Ta/c2*1-3-4-2;2*1-3-2;/h2*1,3-4H2,2H3;2*1-2H3;/q4*-1;+2.
What are the key properties of butane;bis(dimethylazanide);tantalum(2+)?
butane;bis(dimethylazanide);tantalum(2+) has a molecular weight of 383.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(dimethylazanide);tantalum(2+) is sourced from PubChem (CID 21417797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).