ethanimidamide;propan-2-one;titanium

C11H30N8OTi — CID 158445220

IUPACethanimidamide;propan-2-one;titanium
SMILESCC(C)=O.[H]/N=C(\C)N.[H]/N=C(\C)N.[H]/N=C(\C)N.[H]/N=C(\C)N.[Ti]
InChIInChI=1S/C3H6O.4C2H6N2.Ti/c1-3(2)4;4*1-2(3)4;/h1-2H3;4*1H3,(H3,3,4);
InChIKeyHDHRVFKXQGWCDC-UHFFFAOYSA-N
MW338.28 g/mol
LogP0.36
Rot. Bonds

About ethanimidamide;propan-2-one;titanium

ethanimidamide;propan-2-one;titanium (PubChem CID 158445220) has the molecular formula C11H30N8OTi and a molecular weight of 338.28 g/mol. Its IUPAC name is ethanimidamide;propan-2-one;titanium.

Molecular Properties

Compound Nameethanimidamide;propan-2-one;titanium
PubChem CID158445220
Molecular FormulaC11H30N8OTi
Molecular Weight338.28 g/mol
Exact Mass338.20
IUPAC Nameethanimidamide;propan-2-one;titanium
SMILESCC(C)=O.[H]/N=C(\C)N.[H]/N=C(\C)N.[H]/N=C(\C)N.[H]/N=C(\C)N.[Ti]
InChIInChI=1S/C3H6O.4C2H6N2.Ti/c1-3(2)4;4*1-2(3)4;/h1-2H3;4*1H3,(H3,3,4);
InChIKeyHDHRVFKXQGWCDC-UHFFFAOYSA-N
XLogP0.36
TPSA216.55 Ų
H-Bond Donors8
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 50.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 105

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;propan-2-one;vanadium
CID 159949516
cobalt;ethanimidamide
CID 162055614
ethanimidamide;titanium(4+);tetraacetate
CID 158045448
ethanimidamide;guanidine
CID 160661984
ethanimidamide;hydrate;hydrochloride
CID 160733537
ethanimidamide;tetrakis(2-oxopropanoate);titanium(4+)
CID 158288626
cyclopentane;ethanimidamide
CID 158057030
acetamide;titanium
CID 159756610
N-(1-amino-1-iminopropan-2-yl)acetamide
CID 172748430
acetamide
CID 139024037
acetamide;tetramethylazanium
CID 87267382
2,4-dioxopentanimidamide
CID 141143667

Frequently Asked Questions

What is the IUPAC name of ethanimidamide;propan-2-one;titanium?
The IUPAC name of ethanimidamide;propan-2-one;titanium (CID 158445220) is ethanimidamide;propan-2-one;titanium.
What is the SMILES notation for ethanimidamide;propan-2-one;titanium?
The canonical SMILES for ethanimidamide;propan-2-one;titanium is CC(C)=O.[H]/N=C(\C)N.[H]/N=C(\C)N.[H]/N=C(\C)N.[H]/N=C(\C)N.[Ti].
What is the InChIKey of ethanimidamide;propan-2-one;titanium?
The InChIKey is HDHRVFKXQGWCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.4C2H6N2.Ti/c1-3(2)4;4*1-2(3)4;/h1-2H3;4*1H3,(H3,3,4);.
What are the key properties of ethanimidamide;propan-2-one;titanium?
ethanimidamide;propan-2-one;titanium has a molecular weight of 338.28 g/mol, XLogP of 0.36, 0 rotatable bonds, 8 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidamide;propan-2-one;titanium is sourced from PubChem (CID 158445220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).