diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)

C10H17NTi — CID 172750424

IUPACdiethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)
SMILESCC[N-]CC.C[c-]1cccc1.[Ti+2]
InChIInChI=1S/C6H7.C4H10N.Ti/c1-6-4-2-3-5-6;1-3-5-4-2;/h2-5H,1H3;3-4H2,1-2H3;/q2*-1;+2
InChIKeyQAHPTRWEPVIICK-UHFFFAOYSA-N
MW199.12 g/mol
LogP3.11
Rot. Bonds2

About diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)

diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+) (PubChem CID 172750424) has the molecular formula C10H17NTi and a molecular weight of 199.12 g/mol. Its IUPAC name is diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+).

Molecular Properties

Compound Namediethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)
PubChem CID172750424
Molecular FormulaC10H17NTi
Molecular Weight199.12 g/mol
Exact Mass199.08
IUPAC Namediethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)
SMILESCC[N-]CC.C[c-]1cccc1.[Ti+2]
InChIInChI=1S/C6H7.C4H10N.Ti/c1-6-4-2-3-5-6;1-3-5-4-2;/h2-5H,1H3;3-4H2,1-2H3;/q2*-1;+2
InChIKeyQAHPTRWEPVIICK-UHFFFAOYSA-N
XLogP3.11
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 53.11
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 diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)?
The IUPAC name of diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+) (CID 172750424) is diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+).
What is the SMILES notation for diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)?
The canonical SMILES for diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+) is CC[N-]CC.C[c-]1cccc1.[Ti+2].
What is the InChIKey of diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)?
The InChIKey is QAHPTRWEPVIICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.C4H10N.Ti/c1-6-4-2-3-5-6;1-3-5-4-2;/h2-5H,1H3;3-4H2,1-2H3;/q2*-1;+2.
What are the key properties of diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)?
diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+) has a molecular weight of 199.12 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 172750424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).