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

C13H26N3O+ — CID 91604955

IUPACN-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
SMILESCCCCC1C[N+](C)(CCNC(C)=O)C(C)=N1
InChIInChI=1S/C13H25N3O/c1-5-6-7-13-10-16(4,11(2)15-13)9-8-14-12(3)17/h13H,5-10H2,1-4H3/p+1
InChIKeyGTRZQKITSRGGOW-UHFFFAOYSA-O
MW240.37 g/mol
LogP1.56
Rot. Bonds6

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

N-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide (PubChem CID 91604955) has the molecular formula C13H26N3O+ and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
PubChem CID91604955
Molecular FormulaC13H26N3O+
Molecular Weight240.37 g/mol
Exact Mass240.21
IUPAC NameN-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
SMILESCCCCC1C[N+](C)(CCNC(C)=O)C(C)=N1
InChIInChI=1S/C13H25N3O/c1-5-6-7-13-10-16(4,11(2)15-13)9-8-14-12(3)17/h13H,5-10H2,1-4H3/p+1
InChIKeyGTRZQKITSRGGOW-UHFFFAOYSA-O
XLogP1.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
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-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide (CID 91604955) is N-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide is CCCCC1C[N+](C)(CCNC(C)=O)C(C)=N1.
What is the InChIKey of N-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The InChIKey is GTRZQKITSRGGOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H25N3O/c1-5-6-7-13-10-16(4,11(2)15-13)9-8-14-12(3)17/h13H,5-10H2,1-4H3/p+1.
What are the key properties of N-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
N-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide has a molecular weight of 240.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide is sourced from PubChem (CID 91604955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).