About N-ethylethanamine;titanium(4+)
N-ethylethanamine;titanium(4+) (PubChem CID 21151065) has the molecular formula C4H11NTi+4
and a molecular weight of 121.01 g/mol. Its IUPAC name is N-ethylethanamine;titanium(4+).
Molecular Properties
| Compound Name | N-ethylethanamine;titanium(4+) |
| PubChem CID | 21151065 |
| Molecular Formula | C4H11NTi+4 |
| Molecular Weight | 121.01 g/mol |
| Exact Mass | 121.03 |
| IUPAC Name | N-ethylethanamine;titanium(4+) |
| SMILES | CCNCC.[Ti+4] |
| InChI | InChI=1S/C4H11N.Ti/c1-3-5-4-2;/h5H,3-4H2,1-2H3;/q;+4 |
| InChIKey | ULYXWVXUNXMVPZ-UHFFFAOYSA-N |
| XLogP | 0.61 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 6 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 121.01 |
| LogP ≤ 5 | 0.61 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of N-ethylethanamine;titanium(4+)?
The IUPAC name of N-ethylethanamine;titanium(4+) (CID 21151065) is N-ethylethanamine;titanium(4+).
What is the SMILES notation for N-ethylethanamine;titanium(4+)?
The canonical SMILES for N-ethylethanamine;titanium(4+) is CCNCC.[Ti+4].
What is the InChIKey of N-ethylethanamine;titanium(4+)?
The InChIKey is ULYXWVXUNXMVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.Ti/c1-3-5-4-2;/h5H,3-4H2,1-2H3;/q;+4.
What are the key properties of N-ethylethanamine;titanium(4+)?
N-ethylethanamine;titanium(4+) has a molecular weight of 121.01 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;titanium(4+) is sourced from PubChem (CID 21151065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).