N-ethylethanamine;titanium(4+)

C4H11NTi+4 — CID 21151065

IUPACN-ethylethanamine;titanium(4+)
SMILESCCNCC.[Ti+4]
InChIInChI=1S/C4H11N.Ti/c1-3-5-4-2;/h5H,3-4H2,1-2H3;/q;+4
InChIKeyULYXWVXUNXMVPZ-UHFFFAOYSA-N
MW121.01 g/mol
LogP0.61
Rot. Bonds2

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 NameN-ethylethanamine;titanium(4+)
PubChem CID21151065
Molecular FormulaC4H11NTi+4
Molecular Weight121.01 g/mol
Exact Mass121.03
IUPAC NameN-ethylethanamine;titanium(4+)
SMILESCCNCC.[Ti+4]
InChIInChI=1S/C4H11N.Ti/c1-3-5-4-2;/h5H,3-4H2,1-2H3;/q;+4
InChIKeyULYXWVXUNXMVPZ-UHFFFAOYSA-N
XLogP0.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.01
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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).