tert-butyl(methyl)azanide;carbanide;titanium(3+)

C7H18NTi — CID 58231875

IUPACtert-butyl(methyl)azanide;carbanide;titanium(3+)
SMILESC[N-]C(C)(C)C.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C5H12N.2CH3.Ti/c1-5(2,3)6-4;;;/h1-4H3;2*1H3;/q3*-1;+3
InChIKeyIHLZIXGSYCVFTA-UHFFFAOYSA-N
MW164.09 g/mol
LogP2.69
Rot. Bonds

About tert-butyl(methyl)azanide;carbanide;titanium(3+)

tert-butyl(methyl)azanide;carbanide;titanium(3+) (PubChem CID 58231875) has the molecular formula C7H18NTi and a molecular weight of 164.09 g/mol. Its IUPAC name is tert-butyl(methyl)azanide;carbanide;titanium(3+).

Molecular Properties

Compound Nametert-butyl(methyl)azanide;carbanide;titanium(3+)
PubChem CID58231875
Molecular FormulaC7H18NTi
Molecular Weight164.09 g/mol
Exact Mass164.09
IUPAC Nametert-butyl(methyl)azanide;carbanide;titanium(3+)
SMILESC[N-]C(C)(C)C.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C5H12N.2CH3.Ti/c1-5(2,3)6-4;;;/h1-4H3;2*1H3;/q3*-1;+3
InChIKeyIHLZIXGSYCVFTA-UHFFFAOYSA-N
XLogP2.69
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 52.69
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-butyl(methyl)azanide;carbanide;titanium(3+)?
The IUPAC name of tert-butyl(methyl)azanide;carbanide;titanium(3+) (CID 58231875) is tert-butyl(methyl)azanide;carbanide;titanium(3+).
What is the SMILES notation for tert-butyl(methyl)azanide;carbanide;titanium(3+)?
The canonical SMILES for tert-butyl(methyl)azanide;carbanide;titanium(3+) is C[N-]C(C)(C)C.[CH3-].[CH3-].[Ti+3].
What is the InChIKey of tert-butyl(methyl)azanide;carbanide;titanium(3+)?
The InChIKey is IHLZIXGSYCVFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N.2CH3.Ti/c1-5(2,3)6-4;;;/h1-4H3;2*1H3;/q3*-1;+3.
What are the key properties of tert-butyl(methyl)azanide;carbanide;titanium(3+)?
tert-butyl(methyl)azanide;carbanide;titanium(3+) has a molecular weight of 164.09 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(methyl)azanide;carbanide;titanium(3+) is sourced from PubChem (CID 58231875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).