tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride

C27H54ClN3Ti — CID 102217200

IUPACtris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride
SMILESCC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.[Cl-].[Ti+4]
InChIInChI=1S/3C9H18N.ClH.Ti/c3*1-8(2,3)7(10)9(4,5)6;;/h3*1-6H3;1H;/q3*-1;;+4/p-1
InChIKeyWDHIBPLZXYJPTC-UHFFFAOYSA-M
MW504.07 g/mol
LogP6.27
Rot. Bonds

About tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride

tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride (PubChem CID 102217200) has the molecular formula C27H54ClN3Ti and a molecular weight of 504.07 g/mol. Its IUPAC name is tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride.

Molecular Properties

Compound Nametris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride
PubChem CID102217200
Molecular FormulaC27H54ClN3Ti
Molecular Weight504.07 g/mol
Exact Mass503.35
IUPAC Nametris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride
SMILESCC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.[Cl-].[Ti+4]
InChIInChI=1S/3C9H18N.ClH.Ti/c3*1-8(2,3)7(10)9(4,5)6;;/h3*1-6H3;1H;/q3*-1;;+4/p-1
InChIKeyWDHIBPLZXYJPTC-UHFFFAOYSA-M
XLogP6.27
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.07
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2,4,4-Tetramethylpentan-3-one (1-tert-butyl-2,2-dimethylpropylidene)hydrazone (non-preferred name)
CID 638163
Carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide
CID 153465289

Frequently Asked Questions

What is the IUPAC name of tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride?
The IUPAC name of tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride (CID 102217200) is tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride.
What is the SMILES notation for tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride?
The canonical SMILES for tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride is CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.CC(C)(C)C(=[N-])C(C)(C)C.[Cl-].[Ti+4].
What is the InChIKey of tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride?
The InChIKey is WDHIBPLZXYJPTC-UHFFFAOYSA-M. The full InChI is InChI=1S/3C9H18N.ClH.Ti/c3*1-8(2,3)7(10)9(4,5)6;;/h3*1-6H3;1H;/q3*-1;;+4/p-1.
What are the key properties of tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride?
tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride has a molecular weight of 504.07 g/mol, XLogP of 6.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2,4,4-tetramethylpentan-3-ylideneazanide);titanium(4+);chloride is sourced from PubChem (CID 102217200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).