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

C11H22N3O+ — CID 138507515

IUPACN-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
SMILESCCC1=NCC[N+]1(CC)CCNC(C)=O
InChIInChI=1S/C11H21N3O/c1-4-11-13-7-9-14(11,5-2)8-6-12-10(3)15/h4-9H2,1-3H3/p+1
InChIKeyYKSIAUITBBQLEI-UHFFFAOYSA-O
MW212.32 g/mol
LogP0.78
Rot. Bonds5

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

N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide (PubChem CID 138507515) has the molecular formula C11H22N3O+ and a molecular weight of 212.32 g/mol. Its IUPAC name is N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
PubChem CID138507515
Molecular FormulaC11H22N3O+
Molecular Weight212.32 g/mol
Exact Mass212.18
IUPAC NameN-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
SMILESCCC1=NCC[N+]1(CC)CCNC(C)=O
InChIInChI=1S/C11H21N3O/c1-4-11-13-7-9-14(11,5-2)8-6-12-10(3)15/h4-9H2,1-3H3/p+1
InChIKeyYKSIAUITBBQLEI-UHFFFAOYSA-O
XLogP0.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.78
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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Related Compounds

2-Ethyl-3,5-dihydroimidazol-4-one
CID 57435862
N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide
CID 20693624
5-Diethylamino-2,3,6,7-tetrahydro-1h-1,4-diazepin-7-one
CID 14225749
(4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one
CID 10487713
N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide
CID 222783
N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide
CID 18684781
N-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]acetamide
CID 18717500
N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
CID 20627058
N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
CID 20748345
N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide
CID 20748346
N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide
CID 20748348
N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide
CID 20748349

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide (CID 138507515) is N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide is CCC1=NCC[N+]1(CC)CCNC(C)=O.
What is the InChIKey of N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The InChIKey is YKSIAUITBBQLEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21N3O/c1-4-11-13-7-9-14(11,5-2)8-6-12-10(3)15/h4-9H2,1-3H3/p+1.
What are the key properties of N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide has a molecular weight of 212.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-diethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide is sourced from PubChem (CID 138507515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).