N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide

C12H25N4O+ — CID 59945496

IUPACN-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide
SMILESCC(=O)NCCN(C)CCN1CC[N+](C)=C1C
InChIInChI=1S/C12H24N4O/c1-11(17)13-5-6-14(3)7-9-16-10-8-15(4)12(16)2/h5-10H2,1-4H3/p+1
InChIKeyZEMAIKATHMHVNE-UHFFFAOYSA-O
MW241.36 g/mol
LogP-0.57
Rot. Bonds6

About N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide

N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide (PubChem CID 59945496) has the molecular formula C12H25N4O+ and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide
PubChem CID59945496
Molecular FormulaC12H25N4O+
Molecular Weight241.36 g/mol
Exact Mass241.20
IUPAC NameN-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide
SMILESCC(=O)NCCN(C)CCN1CC[N+](C)=C1C
InChIInChI=1S/C12H24N4O/c1-11(17)13-5-6-14(3)7-9-16-10-8-15(4)12(16)2/h5-10H2,1-4H3/p+1
InChIKeyZEMAIKATHMHVNE-UHFFFAOYSA-O
XLogP-0.57
TPSA38.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide (CID 59945496) is N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide is CC(=O)NCCN(C)CCN1CC[N+](C)=C1C.
What is the InChIKey of N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide?
The InChIKey is ZEMAIKATHMHVNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H24N4O/c1-11(17)13-5-6-14(3)7-9-16-10-8-15(4)12(16)2/h5-10H2,1-4H3/p+1.
What are the key properties of N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide?
N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide has a molecular weight of 241.36 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl-methylamino]ethyl]acetamide is sourced from PubChem (CID 59945496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).