propan-1-amine;tris(propan-1-olate);titanium(4+)

C12H29NO3Ti — CID 161458691

IUPACpropan-1-amine;tris(propan-1-olate);titanium(4+)
SMILESCCC[O-].CCC[O-].CCC[O-].[CH2-]CCN.[Ti+4]
InChIInChI=1S/C3H8N.3C3H7O.Ti/c4*1-2-3-4;/h1-4H2;3*2-3H2,1H3;/q4*-1;+4
InChIKeyFJGLEMZPGIQGEC-UHFFFAOYSA-N
MW283.23 g/mol
LogP-0.56
Rot. Bonds4

About propan-1-amine;tris(propan-1-olate);titanium(4+)

propan-1-amine;tris(propan-1-olate);titanium(4+) (PubChem CID 161458691) has the molecular formula C12H29NO3Ti and a molecular weight of 283.23 g/mol. Its IUPAC name is propan-1-amine;tris(propan-1-olate);titanium(4+).

Molecular Properties

Compound Namepropan-1-amine;tris(propan-1-olate);titanium(4+)
PubChem CID161458691
Molecular FormulaC12H29NO3Ti
Molecular Weight283.23 g/mol
Exact Mass283.16
IUPAC Namepropan-1-amine;tris(propan-1-olate);titanium(4+)
SMILESCCC[O-].CCC[O-].CCC[O-].[CH2-]CCN.[Ti+4]
InChIInChI=1S/C3H8N.3C3H7O.Ti/c4*1-2-3-4;/h1-4H2;3*2-3H2,1H3;/q4*-1;+4
InChIKeyFJGLEMZPGIQGEC-UHFFFAOYSA-N
XLogP-0.56
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-1-amine;tris(propan-1-olate);titanium(4+)?
The IUPAC name of propan-1-amine;tris(propan-1-olate);titanium(4+) (CID 161458691) is propan-1-amine;tris(propan-1-olate);titanium(4+).
What is the SMILES notation for propan-1-amine;tris(propan-1-olate);titanium(4+)?
The canonical SMILES for propan-1-amine;tris(propan-1-olate);titanium(4+) is CCC[O-].CCC[O-].CCC[O-].[CH2-]CCN.[Ti+4].
What is the InChIKey of propan-1-amine;tris(propan-1-olate);titanium(4+)?
The InChIKey is FJGLEMZPGIQGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N.3C3H7O.Ti/c4*1-2-3-4;/h1-4H2;3*2-3H2,1H3;/q4*-1;+4.
What are the key properties of propan-1-amine;tris(propan-1-olate);titanium(4+)?
propan-1-amine;tris(propan-1-olate);titanium(4+) has a molecular weight of 283.23 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;tris(propan-1-olate);titanium(4+) is sourced from PubChem (CID 161458691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).