carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+)

C13H24NTi — CID 22633767

IUPACcarbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.[CH3-].[Ti+3]
InChIInChI=1S/C10H15.C2H6N.CH3.Ti/c1-7-6-10(4,5)9(3)8(7)2;1-3-2;;/h1-5H3;1-2H3;1H3;/q3*-1;+3
InChIKeyMOWUFZHLYIJVEM-UHFFFAOYSA-N
MW242.21 g/mol
LogP4.18
Rot. Bonds

About carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+)

carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+) (PubChem CID 22633767) has the molecular formula C13H24NTi and a molecular weight of 242.21 g/mol. Its IUPAC name is carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+).

Molecular Properties

Compound Namecarbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+)
PubChem CID22633767
Molecular FormulaC13H24NTi
Molecular Weight242.21 g/mol
Exact Mass242.14
IUPAC Namecarbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.[CH3-].[Ti+3]
InChIInChI=1S/C10H15.C2H6N.CH3.Ti/c1-7-6-10(4,5)9(3)8(7)2;1-3-2;;/h1-5H3;1-2H3;1H3;/q3*-1;+3
InChIKeyMOWUFZHLYIJVEM-UHFFFAOYSA-N
XLogP4.18
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 54.18
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 carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+)?
The IUPAC name of carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+) (CID 22633767) is carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+).
What is the SMILES notation for carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+)?
The canonical SMILES for carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+) is CC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.[CH3-].[Ti+3].
What is the InChIKey of carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+)?
The InChIKey is MOWUFZHLYIJVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C2H6N.CH3.Ti/c1-7-6-10(4,5)9(3)8(7)2;1-3-2;;/h1-5H3;1-2H3;1H3;/q3*-1;+3.
What are the key properties of carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+)?
carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+) has a molecular weight of 242.21 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dimethylazanide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+) is sourced from PubChem (CID 22633767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).