N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide

C11H22N3O+ — CID 58658350

IUPACN-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide
SMILESCC(=O)N(C)CC1=NC(C)C(C)[N+]1(C)C
InChIInChI=1S/C11H22N3O/c1-8-9(2)14(5,6)11(12-8)7-13(4)10(3)15/h8-9H,7H2,1-6H3/q+1
InChIKeyFJLJJUFMBYHBTE-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.73
Rot. Bonds2

About N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide

N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide (PubChem CID 58658350) has the molecular formula C11H22N3O+ and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide
PubChem CID58658350
Molecular FormulaC11H22N3O+
Molecular Weight212.32 g/mol
Exact Mass212.18
IUPAC NameN-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide
SMILESCC(=O)N(C)CC1=NC(C)C(C)[N+]1(C)C
InChIInChI=1S/C11H22N3O/c1-8-9(2)14(5,6)11(12-8)7-13(4)10(3)15/h8-9H,7H2,1-6H3/q+1
InChIKeyFJLJJUFMBYHBTE-UHFFFAOYSA-N
XLogP0.73
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide?
The IUPAC name of N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide (CID 58658350) is N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide?
The canonical SMILES for N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide is CC(=O)N(C)CC1=NC(C)C(C)[N+]1(C)C.
What is the InChIKey of N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide?
The InChIKey is FJLJJUFMBYHBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3O/c1-8-9(2)14(5,6)11(12-8)7-13(4)10(3)15/h8-9H,7H2,1-6H3/q+1.
What are the key properties of N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide?
N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide has a molecular weight of 212.32 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide is sourced from PubChem (CID 58658350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).