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

C12H24N3O+ — CID 20748353

IUPACN-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCC1=NC(C)C(C)[N+]1(C)C
InChIInChI=1S/C12H24N3O/c1-9-10(2)15(5,6)12(13-9)7-8-14(4)11(3)16/h9-10H,7-8H2,1-6H3/q+1
InChIKeyZSHMHRFRPHZOCP-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.12
Rot. Bonds3

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

N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide (PubChem CID 20748353) has the molecular formula C12H24N3O+ and a molecular weight of 226.34 g/mol. Its IUPAC name is N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide
PubChem CID20748353
Molecular FormulaC12H24N3O+
Molecular Weight226.34 g/mol
Exact Mass226.19
IUPAC NameN-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCC1=NC(C)C(C)[N+]1(C)C
InChIInChI=1S/C12H24N3O/c1-9-10(2)15(5,6)12(13-9)7-8-14(4)11(3)16/h9-10H,7-8H2,1-6H3/q+1
InChIKeyZSHMHRFRPHZOCP-UHFFFAOYSA-N
XLogP1.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.12
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-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide (CID 20748353) is N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide is CC(=O)N(C)CCC1=NC(C)C(C)[N+]1(C)C.
What is the InChIKey of N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide?
The InChIKey is ZSHMHRFRPHZOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N3O/c1-9-10(2)15(5,6)12(13-9)7-8-14(4)11(3)16/h9-10H,7-8H2,1-6H3/q+1.
What are the key properties of N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide?
N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide has a molecular weight of 226.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide is sourced from PubChem (CID 20748353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).