N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate

C10H18BF4N3O — CID 24851356

IUPACN,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate
SMILESCCN(CC)C(=O)Cn1cc[n+](C)c1.F[B-](F)(F)F
InChIInChI=1S/C10H18N3O.BF4/c1-4-13(5-2)10(14)8-12-7-6-11(3)9-12;2-1(3,4)5/h6-7,9H,4-5,8H2,1-3H3;/q+1;-1
InChIKeyIXAKWNDIIDKWJD-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.48
Rot. Bonds4

About N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate

N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate (PubChem CID 24851356) has the molecular formula C10H18BF4N3O and a molecular weight of 283.08 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate
PubChem CID24851356
Molecular FormulaC10H18BF4N3O
Molecular Weight283.08 g/mol
Exact Mass283.15
IUPAC NameN,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate
SMILESCCN(CC)C(=O)Cn1cc[n+](C)c1.F[B-](F)(F)F
InChIInChI=1S/C10H18N3O.BF4/c1-4-13(5-2)10(14)8-12-7-6-11(3)9-12;2-1(3,4)5/h6-7,9H,4-5,8H2,1-3H3;/q+1;-1
InChIKeyIXAKWNDIIDKWJD-UHFFFAOYSA-N
XLogP1.48
TPSA29.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate?
The IUPAC name of N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate (CID 24851356) is N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate.
What is the SMILES notation for N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate?
The canonical SMILES for N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate is CCN(CC)C(=O)Cn1cc[n+](C)c1.F[B-](F)(F)F.
What is the InChIKey of N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate?
The InChIKey is IXAKWNDIIDKWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O.BF4/c1-4-13(5-2)10(14)8-12-7-6-11(3)9-12;2-1(3,4)5/h6-7,9H,4-5,8H2,1-3H3;/q+1;-1.
What are the key properties of N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate?
N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate has a molecular weight of 283.08 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide tetrafluoroborate is sourced from PubChem (CID 24851356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).