azanide;2-methanidylpropane;titanium(4+);dichloride

C4H11Cl2NTi — CID 174308644

IUPACazanide;2-methanidylpropane;titanium(4+);dichloride
SMILES[CH2-]C(C)C.[Cl-].[Cl-].[NH2-].[Ti+4]
InChIInChI=1S/C4H9.2ClH.H2N.Ti/c1-4(2)3;;;;/h4H,1H2,2-3H3;2*1H;1H2;/q-1;;;-1;+4/p-2
InChIKeyXJRDLCLLPFGBRL-UHFFFAOYSA-L
MW191.91 g/mol
LogP-3.80
Rot. Bonds

About azanide;2-methanidylpropane;titanium(4+);dichloride

azanide;2-methanidylpropane;titanium(4+);dichloride (PubChem CID 174308644) has the molecular formula C4H11Cl2NTi and a molecular weight of 191.91 g/mol. Its IUPAC name is azanide;2-methanidylpropane;titanium(4+);dichloride.

Molecular Properties

Compound Nameazanide;2-methanidylpropane;titanium(4+);dichloride
PubChem CID174308644
Molecular FormulaC4H11Cl2NTi
Molecular Weight191.91 g/mol
Exact Mass190.97
IUPAC Nameazanide;2-methanidylpropane;titanium(4+);dichloride
SMILES[CH2-]C(C)C.[Cl-].[Cl-].[NH2-].[Ti+4]
InChIInChI=1S/C4H9.2ClH.H2N.Ti/c1-4(2)3;;;;/h4H,1H2,2-3H3;2*1H;1H2;/q-1;;;-1;+4/p-2
InChIKeyXJRDLCLLPFGBRL-UHFFFAOYSA-L
XLogP-3.80
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.91
LogP ≤ 5-3.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze azanide;2-methanidylpropane;titanium(4+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azanide;2-methanidylpropane;titanium(4+);dichloride?
The IUPAC name of azanide;2-methanidylpropane;titanium(4+);dichloride (CID 174308644) is azanide;2-methanidylpropane;titanium(4+);dichloride.
What is the SMILES notation for azanide;2-methanidylpropane;titanium(4+);dichloride?
The canonical SMILES for azanide;2-methanidylpropane;titanium(4+);dichloride is [CH2-]C(C)C.[Cl-].[Cl-].[NH2-].[Ti+4].
What is the InChIKey of azanide;2-methanidylpropane;titanium(4+);dichloride?
The InChIKey is XJRDLCLLPFGBRL-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9.2ClH.H2N.Ti/c1-4(2)3;;;;/h4H,1H2,2-3H3;2*1H;1H2;/q-1;;;-1;+4/p-2.
What are the key properties of azanide;2-methanidylpropane;titanium(4+);dichloride?
azanide;2-methanidylpropane;titanium(4+);dichloride has a molecular weight of 191.91 g/mol, XLogP of -3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;2-methanidylpropane;titanium(4+);dichloride is sourced from PubChem (CID 174308644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).