tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium

C15H33NTi-8 — CID 170546766

IUPACtert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium
SMILESCC(C)(C)[NH-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti].c1cc[cH-]c1
InChIInChI=1S/C5H5.C4H10N.6CH3.Ti/c1-2-4-5-3-1;1-4(2,3)5;;;;;;;/h1-5H;5H,1-3H3;6*1H3;/q8*-1;
InChIKeyBHKPTFXPMRZTPT-UHFFFAOYSA-N
MW275.30 g/mol
LogP5.94
Rot. Bonds

About tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium

tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium (PubChem CID 170546766) has the molecular formula C15H33NTi-8 and a molecular weight of 275.30 g/mol. Its IUPAC name is tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Nametert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium
PubChem CID170546766
Molecular FormulaC15H33NTi-8
Molecular Weight275.30 g/mol
Exact Mass275.21
IUPAC Nametert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium
SMILESCC(C)(C)[NH-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti].c1cc[cH-]c1
InChIInChI=1S/C5H5.C4H10N.6CH3.Ti/c1-2-4-5-3-1;1-4(2,3)5;;;;;;;/h1-5H;5H,1-3H3;6*1H3;/q8*-1;
InChIKeyBHKPTFXPMRZTPT-UHFFFAOYSA-N
XLogP5.94
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.30
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium?
The IUPAC name of tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium (CID 170546766) is tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium.
What is the SMILES notation for tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium?
The canonical SMILES for tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium is CC(C)(C)[NH-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti].c1cc[cH-]c1.
What is the InChIKey of tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium?
The InChIKey is BHKPTFXPMRZTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H10N.6CH3.Ti/c1-2-4-5-3-1;1-4(2,3)5;;;;;;;/h1-5H;5H,1-3H3;6*1H3;/q8*-1;.
What are the key properties of tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium?
tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium has a molecular weight of 275.30 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium is sourced from PubChem (CID 170546766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).