carbanide;chlorotitanium(3+);bis(dimethylazanide)

C5H15ClN2Ti — CID 20725129

IUPACcarbanide;chlorotitanium(3+);bis(dimethylazanide)
SMILESC[N-]C.C[N-]C.Cl[Ti+3].[CH3-]
InChIInChI=1S/2C2H6N.CH3.ClH.Ti/c2*1-3-2;;;/h2*1-2H3;1H3;1H;/q3*-1;;+4/p-1
InChIKeyFMAVVIBLLSWCMI-UHFFFAOYSA-M
MW186.51 g/mol
LogP2.38
Rot. Bonds

About carbanide;chlorotitanium(3+);bis(dimethylazanide)

carbanide;chlorotitanium(3+);bis(dimethylazanide) (PubChem CID 20725129) has the molecular formula C5H15ClN2Ti and a molecular weight of 186.51 g/mol. Its IUPAC name is carbanide;chlorotitanium(3+);bis(dimethylazanide).

Molecular Properties

Compound Namecarbanide;chlorotitanium(3+);bis(dimethylazanide)
PubChem CID20725129
Molecular FormulaC5H15ClN2Ti
Molecular Weight186.51 g/mol
Exact Mass186.04
IUPAC Namecarbanide;chlorotitanium(3+);bis(dimethylazanide)
SMILESC[N-]C.C[N-]C.Cl[Ti+3].[CH3-]
InChIInChI=1S/2C2H6N.CH3.ClH.Ti/c2*1-3-2;;;/h2*1-2H3;1H3;1H;/q3*-1;;+4/p-1
InChIKeyFMAVVIBLLSWCMI-UHFFFAOYSA-M
XLogP2.38
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.51
LogP ≤ 52.38
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;chlorotitanium(3+);bis(dimethylazanide)?
The IUPAC name of carbanide;chlorotitanium(3+);bis(dimethylazanide) (CID 20725129) is carbanide;chlorotitanium(3+);bis(dimethylazanide).
What is the SMILES notation for carbanide;chlorotitanium(3+);bis(dimethylazanide)?
The canonical SMILES for carbanide;chlorotitanium(3+);bis(dimethylazanide) is C[N-]C.C[N-]C.Cl[Ti+3].[CH3-].
What is the InChIKey of carbanide;chlorotitanium(3+);bis(dimethylazanide)?
The InChIKey is FMAVVIBLLSWCMI-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H6N.CH3.ClH.Ti/c2*1-3-2;;;/h2*1-2H3;1H3;1H;/q3*-1;;+4/p-1.
What are the key properties of carbanide;chlorotitanium(3+);bis(dimethylazanide)?
carbanide;chlorotitanium(3+);bis(dimethylazanide) has a molecular weight of 186.51 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chlorotitanium(3+);bis(dimethylazanide) is sourced from PubChem (CID 20725129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).