tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)

C17H35N3Ti — CID 159129204

IUPACtris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)
SMILESC=CC(C)=CC.C[N-]C.C[N-]C.C[N-]C.[H]/[C-]=C\C=CC.[Ti+4]
InChIInChI=1S/C6H10.C5H7.3C2H6N.Ti/c1-4-6(3)5-2;1-3-5-4-2;3*1-3-2;/h4-5H,1H2,2-3H3;1,3-5H,2H3;3*1-2H3;/q;4*-1;+4
InChIKeyJABJAEDJLQUPJA-UHFFFAOYSA-N
MW329.36 g/mol
LogP5.55
Rot. Bonds2

About tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)

tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+) (PubChem CID 159129204) has the molecular formula C17H35N3Ti and a molecular weight of 329.36 g/mol. Its IUPAC name is tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+).

Molecular Properties

Compound Nametris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)
PubChem CID159129204
Molecular FormulaC17H35N3Ti
Molecular Weight329.36 g/mol
Exact Mass329.23
IUPAC Nametris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)
SMILESC=CC(C)=CC.C[N-]C.C[N-]C.C[N-]C.[H]/[C-]=C\C=CC.[Ti+4]
InChIInChI=1S/C6H10.C5H7.3C2H6N.Ti/c1-4-6(3)5-2;1-3-5-4-2;3*1-3-2;/h4-5H,1H2,2-3H3;1,3-5H,2H3;3*1-2H3;/q;4*-1;+4
InChIKeyJABJAEDJLQUPJA-UHFFFAOYSA-N
XLogP5.55
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.36
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

penta-1,3-diene;titanium
CID 152746419
iridium(3+);penta-1,3-diene
CID 172785621
penta-1,3-diene;ytterbium
CID 154342036
carbanide;penta-1,3-diene;zirconium(4+)
CID 140974875
penta-1,3-diene;zirconium(4+);triiodide
CID 174911383
penta-1,3-diene;titanium;trihydrochloride
CID 173377653
bis(penta-1,3-diene);zirconium(2+);dihydrochloride
CID 173003583
carbanide;penta-1,3-diene;platinum(4+)
CID 141374787
tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
CID 173316749
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
cobalt(2+);2-methylpropanenitrile;penta-1,3-diene
CID 150721318
methane;(3E,5Z,7Z)-3-methylnona-1,3,5,7-tetraene
CID 144724119

Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)?
The IUPAC name of tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+) (CID 159129204) is tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+).
What is the SMILES notation for tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)?
The canonical SMILES for tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+) is C=CC(C)=CC.C[N-]C.C[N-]C.C[N-]C.[H]/[C-]=C\C=CC.[Ti+4].
What is the InChIKey of tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)?
The InChIKey is JABJAEDJLQUPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H7.3C2H6N.Ti/c1-4-6(3)5-2;1-3-5-4-2;3*1-3-2;/h4-5H,1H2,2-3H3;1,3-5H,2H3;3*1-2H3;/q;4*-1;+4.
What are the key properties of tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)?
tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+) has a molecular weight of 329.36 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+) is sourced from PubChem (CID 159129204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).