cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+)

C19H36N2Ti — CID 173316383

IUPACcyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+)
SMILESC=CC(C)=CC.C[C-](C)C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[Ti+4]
InChIInChI=1S/C6H10.C5H5.C4H9.2C2H6N.Ti/c1-4-6(3)5-2;1-2-4-5-3-1;1-4(2)3;2*1-3-2;/h4-5H,1H2,2-3H3;1-3H,4H2;1-3H3;2*1-2H3;/q;4*-1;+4
InChIKeyAAZUKDZBITZFSK-UHFFFAOYSA-N
MW340.38 g/mol
LogP6.30
Rot. Bonds1

About cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+)

cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+) (PubChem CID 173316383) has the molecular formula C19H36N2Ti and a molecular weight of 340.38 g/mol. Its IUPAC name is cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+)
PubChem CID173316383
Molecular FormulaC19H36N2Ti
Molecular Weight340.38 g/mol
Exact Mass340.24
IUPAC Namecyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+)
SMILESC=CC(C)=CC.C[C-](C)C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[Ti+4]
InChIInChI=1S/C6H10.C5H5.C4H9.2C2H6N.Ti/c1-4-6(3)5-2;1-2-4-5-3-1;1-4(2)3;2*1-3-2;/h4-5H,1H2,2-3H3;1-3H,4H2;1-3H3;2*1-2H3;/q;4*-1;+4
InChIKeyAAZUKDZBITZFSK-UHFFFAOYSA-N
XLogP6.30
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 56.30
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'}

Analyze cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+) with MolForge

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Related Compounds

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CID 18462450
CID 19035402
CID 19035402
CID 19035404
CID 19035404
CID 19035407
CID 19035407
CID 19035409
CID 19035409
CID 19035414
CID 19035414
CID 19035435
CID 19035435
CID 19035457
CID 19035457

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+)?
The IUPAC name of cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+) (CID 173316383) is cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+) is C=CC(C)=CC.C[C-](C)C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[Ti+4].
What is the InChIKey of cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+)?
The InChIKey is AAZUKDZBITZFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H5.C4H9.2C2H6N.Ti/c1-4-6(3)5-2;1-2-4-5-3-1;1-4(2)3;2*1-3-2;/h4-5H,1H2,2-3H3;1-3H,4H2;1-3H3;2*1-2H3;/q;4*-1;+4.
What are the key properties of cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+)?
cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+) has a molecular weight of 340.38 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+) is sourced from PubChem (CID 173316383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).