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

C11H21NTi — CID 175042620

IUPACtert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+)
SMILESCC(C)(C)[NH-].[C-]1=CC=CC1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C5H5.C4H10N.2CH3.Ti/c1-2-4-5-3-1;1-4(2,3)5;;;/h1-3H,4H2;5H,1-3H3;2*1H3;/q4*-1;+4
InChIKeyNILSTPMVKRTXCE-UHFFFAOYSA-N
MW215.16 g/mol
LogP4.04
Rot. Bonds

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

tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+) (PubChem CID 175042620) has the molecular formula C11H21NTi and a molecular weight of 215.16 g/mol. Its IUPAC name is tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+).

Molecular Properties

Compound Nametert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+)
PubChem CID175042620
Molecular FormulaC11H21NTi
Molecular Weight215.16 g/mol
Exact Mass215.12
IUPAC Nametert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+)
SMILESCC(C)(C)[NH-].[C-]1=CC=CC1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C5H5.C4H10N.2CH3.Ti/c1-2-4-5-3-1;1-4(2,3)5;;;/h1-3H,4H2;5H,1-3H3;2*1H3;/q4*-1;+4
InChIKeyNILSTPMVKRTXCE-UHFFFAOYSA-N
XLogP4.04
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 54.04
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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Related Compounds

tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium;dihydrochloride
CID 175060057
CID 173258411
CID 173258411
carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
CID 19077938
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674
carbanide;cyclopenta-1,3-diene;tris(2-methylpropan-2-ol);titanium
CID 173208512
CID 173172683
CID 173172683
CID 173137615
CID 173137615
CID 173137450
CID 173137450
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139

Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+)?
The IUPAC name of tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+) (CID 175042620) is tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+).
What is the SMILES notation for tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+)?
The canonical SMILES for tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+) is CC(C)(C)[NH-].[C-]1=CC=CC1.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+)?
The InChIKey is NILSTPMVKRTXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H10N.2CH3.Ti/c1-2-4-5-3-1;1-4(2,3)5;;;/h1-3H,4H2;5H,1-3H3;2*1H3;/q4*-1;+4.
What are the key properties of tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+)?
tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+) has a molecular weight of 215.16 g/mol, XLogP of 4.04, 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(4+) is sourced from PubChem (CID 175042620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).