tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)

C18H44N4Ti — CID 87312949

IUPACtris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)
SMILESCC(C)[N-]C(C)C.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Ti+4]
InChIInChI=1S/C6H14N.3C4H10N.Ti/c1-5(2)7-6(3)4;3*1-3-5-4-2;/h5-6H,1-4H3;3*3-4H2,1-2H3;/q4*-1;+4
InChIKeyLVLWTUCLSIXQNR-UHFFFAOYSA-N
MW364.45 g/mol
LogP6.37
Rot. Bonds8

About tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)

tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+) (PubChem CID 87312949) has the molecular formula C18H44N4Ti and a molecular weight of 364.45 g/mol. Its IUPAC name is tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+).

Molecular Properties

Compound Nametris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)
PubChem CID87312949
Molecular FormulaC18H44N4Ti
Molecular Weight364.45 g/mol
Exact Mass364.30
IUPAC Nametris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)
SMILESCC(C)[N-]C(C)C.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Ti+4]
InChIInChI=1S/C6H14N.3C4H10N.Ti/c1-5(2)7-6(3)4;3*1-3-5-4-2;/h5-6H,1-4H3;3*3-4H2,1-2H3;/q4*-1;+4
InChIKeyLVLWTUCLSIXQNR-UHFFFAOYSA-N
XLogP6.37
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)?
The IUPAC name of tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+) (CID 87312949) is tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+).
What is the SMILES notation for tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)?
The canonical SMILES for tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+) is CC(C)[N-]C(C)C.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Ti+4].
What is the InChIKey of tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)?
The InChIKey is LVLWTUCLSIXQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.3C4H10N.Ti/c1-5(2)7-6(3)4;3*1-3-5-4-2;/h5-6H,1-4H3;3*3-4H2,1-2H3;/q4*-1;+4.
What are the key properties of tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)?
tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+) has a molecular weight of 364.45 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+) is sourced from PubChem (CID 87312949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).