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Carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+)

C13H30FN3Ti — CID 171766659

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACcarbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+)
SMILESC[N-]C.C[N-]C.C[N-]CCC1CCCC1F.[CH3-].[Ti+4]
InChIInChI=1S/C8H15FN.2C2H6N.CH3.Ti/c1-10-6-5-7-3-2-4-8(7)9;2*1-3-2;;/h7-8H,2-6H2,1H3;2*1-2H3;1H3;/q4*-1;+4
InChIKeyDMTQMQICAHFYLW-UHFFFAOYSA-N
MW295.27 g/mol
LogP4.21
Rot. Bonds3

About Carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+)

Carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+) (PubChem CID 171766659) has the molecular formula C13H30FN3Ti and a molecular weight of 295.27 g/mol. Its IUPAC name is carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+).

Molecular Properties

Compound NameCarbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+)
PubChem CID171766659
Molecular FormulaC13H30FN3Ti
Molecular Weight295.27 g/mol
Exact Mass295.19
IUPAC Namecarbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+)
SMILESC[N-]C.C[N-]C.C[N-]CCC1CCCC1F.[CH3-].[Ti+4]
InChIInChI=1S/C8H15FN.2C2H6N.CH3.Ti/c1-10-6-5-7-3-2-4-8(7)9;2*1-3-2;;/h7-8H,2-6H2,1H3;2*1-2H3;1H3;/q4*-1;+4
InChIKeyDMTQMQICAHFYLW-UHFFFAOYSA-N
XLogP4.21
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 54.21
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;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+)?
The IUPAC name of Carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+) (CID 171766659) is carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+).
What is the SMILES notation for Carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+)?
The canonical SMILES for Carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+) is C[N-]C.C[N-]C.C[N-]CCC1CCCC1F.[CH3-].[Ti+4].
What is the InChIKey of Carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+)?
The InChIKey is DMTQMQICAHFYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN.2C2H6N.CH3.Ti/c1-10-6-5-7-3-2-4-8(7)9;2*1-3-2;;/h7-8H,2-6H2,1H3;2*1-2H3;1H3;/q4*-1;+4.
What are the key properties of Carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+)?
Carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+) has a molecular weight of 295.27 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+) is sourced from PubChem (CID 171766659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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