pentylazanide;titanium(2+)

C5H11NTi — CID 175839897

IUPACpentylazanide;titanium(2+)
SMILES[CH2-]CCCC[NH-].[Ti+2]
InChIInChI=1S/C5H11N.Ti/c1-2-3-4-5-6;/h6H,1-5H2;/q-2;+2
InChIKeyXWPPLZJIRFJIFS-UHFFFAOYSA-N
MW133.02 g/mol
LogP2.04
Rot. Bonds3

About pentylazanide;titanium(2+)

pentylazanide;titanium(2+) (PubChem CID 175839897) has the molecular formula C5H11NTi and a molecular weight of 133.02 g/mol. Its IUPAC name is pentylazanide;titanium(2+).

Molecular Properties

Compound Namepentylazanide;titanium(2+)
PubChem CID175839897
Molecular FormulaC5H11NTi
Molecular Weight133.02 g/mol
Exact Mass133.04
IUPAC Namepentylazanide;titanium(2+)
SMILES[CH2-]CCCC[NH-].[Ti+2]
InChIInChI=1S/C5H11N.Ti/c1-2-3-4-5-6;/h6H,1-5H2;/q-2;+2
InChIKeyXWPPLZJIRFJIFS-UHFFFAOYSA-N
XLogP2.04
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.02
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentylazanide;titanium(2+)?
The IUPAC name of pentylazanide;titanium(2+) (CID 175839897) is pentylazanide;titanium(2+).
What is the SMILES notation for pentylazanide;titanium(2+)?
The canonical SMILES for pentylazanide;titanium(2+) is [CH2-]CCCC[NH-].[Ti+2].
What is the InChIKey of pentylazanide;titanium(2+)?
The InChIKey is XWPPLZJIRFJIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.Ti/c1-2-3-4-5-6;/h6H,1-5H2;/q-2;+2.
What are the key properties of pentylazanide;titanium(2+)?
pentylazanide;titanium(2+) has a molecular weight of 133.02 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentylazanide;titanium(2+) is sourced from PubChem (CID 175839897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).