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

Name: Tris(diethylazanide);2-methylbutan-2-yliminoniobium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₄₁N₄Nb-3 — CID 175814454

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Tris(diethylazanide);2-methylbutan-2-yliminoniobium
PubChem CID	175814454
Molecular Formula	C₁₇H₄₁N₄Nb-3
Molecular Weight	394.45 g/mol
Exact Mass	394.24
IUPAC Name	tris(diethylazanide);2-methylbutan-2-yliminoniobium
SMILES	CCC(C)(C)N=[Nb].CC[N-]CC.CC[N-]CC.CC[N-]CC
InChI	InChI=1S/C5H11N.3C4H10N.Nb/c1-4-5(2,3)6;31-3-5-4-2;/h4H2,1-3H3;33-4H2,1-2H3;/q;3*-1;
InChIKey	NXJVMEHCBZEZIU-UHFFFAOYSA-N
XLogP	6.11
TPSA	54.66 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	8
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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).

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Sources

PubChem CID 175814454 — identifiers, structure, computed properties (public domain)

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