tris(diethylazanide);2-methylbutan-2-yliminoniobium

C17H41N4Nb-3 — CID 175814454

IUPACtris(diethylazanide);2-methylbutan-2-yliminoniobium
SMILESCCC(C)(C)N=[Nb].CC[N-]CC.CC[N-]CC.CC[N-]CC
InChIInChI=1S/C5H11N.3C4H10N.Nb/c1-4-5(2,3)6;3*1-3-5-4-2;/h4H2,1-3H3;3*3-4H2,1-2H3;/q;3*-1;
InChIKeyNXJVMEHCBZEZIU-UHFFFAOYSA-N
MW394.45 g/mol
LogP6.11
Rot. Bonds8

About tris(diethylazanide);2-methylbutan-2-yliminoniobium

tris(diethylazanide);2-methylbutan-2-yliminoniobium (PubChem CID 175814454) has the molecular formula C17H41N4Nb-3 and a molecular weight of 394.45 g/mol. Its IUPAC name is tris(diethylazanide);2-methylbutan-2-yliminoniobium.

Molecular Properties

Compound Nametris(diethylazanide);2-methylbutan-2-yliminoniobium
PubChem CID175814454
Molecular FormulaC17H41N4Nb-3
Molecular Weight394.45 g/mol
Exact Mass394.24
IUPAC Nametris(diethylazanide);2-methylbutan-2-yliminoniobium
SMILESCCC(C)(C)N=[Nb].CC[N-]CC.CC[N-]CC.CC[N-]CC
InChIInChI=1S/C5H11N.3C4H10N.Nb/c1-4-5(2,3)6;3*1-3-5-4-2;/h4H2,1-3H3;3*3-4H2,1-2H3;/q;3*-1;
InChIKeyNXJVMEHCBZEZIU-UHFFFAOYSA-N
XLogP6.11
TPSA54.66 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tris(diethylazanide);2-methylbutan-2-yliminoniobium?
The IUPAC name of tris(diethylazanide);2-methylbutan-2-yliminoniobium (CID 175814454) is tris(diethylazanide);2-methylbutan-2-yliminoniobium.
What is the SMILES notation for tris(diethylazanide);2-methylbutan-2-yliminoniobium?
The canonical SMILES for tris(diethylazanide);2-methylbutan-2-yliminoniobium is CCC(C)(C)N=[Nb].CC[N-]CC.CC[N-]CC.CC[N-]CC.
What is the InChIKey of tris(diethylazanide);2-methylbutan-2-yliminoniobium?
The InChIKey is NXJVMEHCBZEZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.3C4H10N.Nb/c1-4-5(2,3)6;3*1-3-5-4-2;/h4H2,1-3H3;3*3-4H2,1-2H3;/q;3*-1;.
What are the key properties of tris(diethylazanide);2-methylbutan-2-yliminoniobium?
tris(diethylazanide);2-methylbutan-2-yliminoniobium has a molecular weight of 394.45 g/mol, XLogP of 6.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diethylazanide);2-methylbutan-2-yliminoniobium is sourced from PubChem (CID 175814454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).