tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)

C12H23NTi — CID 150958028

IUPACtert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)
SMILESCC(C)(C)[NH-].C[c-]1cccc1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C6H7.C4H10N.2CH3.Ti/c1-6-4-2-3-5-6;1-4(2,3)5;;;/h2-5H,1H3;5H,1-3H3;2*1H3;/q4*-1;+4
InChIKeyLLMOBLCTLZCIQZ-UHFFFAOYSA-N
MW229.19 g/mol
LogP4.45
Rot. Bonds

About tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)

tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+) (PubChem CID 150958028) has the molecular formula C12H23NTi and a molecular weight of 229.19 g/mol. Its IUPAC name is tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+).

Molecular Properties

Compound Nametert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)
PubChem CID150958028
Molecular FormulaC12H23NTi
Molecular Weight229.19 g/mol
Exact Mass229.13
IUPAC Nametert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)
SMILESCC(C)(C)[NH-].C[c-]1cccc1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C6H7.C4H10N.2CH3.Ti/c1-6-4-2-3-5-6;1-4(2,3)5;;;/h2-5H,1H3;5H,1-3H3;2*1H3;/q4*-1;+4
InChIKeyLLMOBLCTLZCIQZ-UHFFFAOYSA-N
XLogP4.45
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)?
The IUPAC name of tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+) (CID 150958028) is tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+).
What is the SMILES notation for tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)?
The canonical SMILES for tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+) is CC(C)(C)[NH-].C[c-]1cccc1.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)?
The InChIKey is LLMOBLCTLZCIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.C4H10N.2CH3.Ti/c1-6-4-2-3-5-6;1-4(2,3)5;;;/h2-5H,1H3;5H,1-3H3;2*1H3;/q4*-1;+4.
What are the key properties of tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)?
tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+) has a molecular weight of 229.19 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+) is sourced from PubChem (CID 150958028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).