ethanimidamide;titanium(4+);tetraacetate

C10H18N2O8Ti — CID 158045448

IUPACethanimidamide;titanium(4+);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[H]/N=C(\C)N.[Ti+4]
InChIInChI=1S/C2H6N2.4C2H4O2.Ti/c5*1-2(3)4;/h1H3,(H3,3,4);4*1H3,(H,3,4);/q;;;;;+4/p-4
InChIKeyARHQIDZTGGCWHN-UHFFFAOYSA-J
MW342.13 g/mol
LogP-5.04
Rot. Bonds

About ethanimidamide;titanium(4+);tetraacetate

ethanimidamide;titanium(4+);tetraacetate (PubChem CID 158045448) has the molecular formula C10H18N2O8Ti and a molecular weight of 342.13 g/mol. Its IUPAC name is ethanimidamide;titanium(4+);tetraacetate.

Molecular Properties

Compound Nameethanimidamide;titanium(4+);tetraacetate
PubChem CID158045448
Molecular FormulaC10H18N2O8Ti
Molecular Weight342.13 g/mol
Exact Mass342.05
IUPAC Nameethanimidamide;titanium(4+);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[H]/N=C(\C)N.[Ti+4]
InChIInChI=1S/C2H6N2.4C2H4O2.Ti/c5*1-2(3)4;/h1H3,(H3,3,4);4*1H3,(H,3,4);/q;;;;;+4/p-4
InChIKeyARHQIDZTGGCWHN-UHFFFAOYSA-J
XLogP-5.04
TPSA210.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 5-5.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethanimidamide;tetrakis(2-oxopropanoate);titanium(4+)
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CID 158445220
cobalt;ethanimidamide
CID 162055614
carbamimidoyl(methyl)azanium acetate
CID 141435217
ethanimidamide;guanidine
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ethanimidamide;hydrate;hydrochloride
CID 160733537
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CID 158057030
disodium;guanidine;diacetate
CID 172858856
azanium;urea;acetate
CID 87930546
calcium;carbamimidate;dichloride
CID 73456692
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Frequently Asked Questions

What is the IUPAC name of ethanimidamide;titanium(4+);tetraacetate?
The IUPAC name of ethanimidamide;titanium(4+);tetraacetate (CID 158045448) is ethanimidamide;titanium(4+);tetraacetate.
What is the SMILES notation for ethanimidamide;titanium(4+);tetraacetate?
The canonical SMILES for ethanimidamide;titanium(4+);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[H]/N=C(\C)N.[Ti+4].
What is the InChIKey of ethanimidamide;titanium(4+);tetraacetate?
The InChIKey is ARHQIDZTGGCWHN-UHFFFAOYSA-J. The full InChI is InChI=1S/C2H6N2.4C2H4O2.Ti/c5*1-2(3)4;/h1H3,(H3,3,4);4*1H3,(H,3,4);/q;;;;;+4/p-4.
What are the key properties of ethanimidamide;titanium(4+);tetraacetate?
ethanimidamide;titanium(4+);tetraacetate has a molecular weight of 342.13 g/mol, XLogP of -5.04, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidamide;titanium(4+);tetraacetate is sourced from PubChem (CID 158045448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).