N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide

C10H21N3O+2 — CID 20676163

IUPACN-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide
SMILESCNC(=O)C[N+]12CC[N+](C)(CC1)CC2
InChIInChI=1S/C10H20N3O/c1-11-10(14)9-13-6-3-12(2,4-7-13)5-8-13/h3-9H2,1-2H3/q+1/p+1
InChIKeyWWBYOBLLRYLNIL-UHFFFAOYSA-O
MW199.30 g/mol
LogP-0.98
Rot. Bonds2

About N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide

N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide (PubChem CID 20676163) has the molecular formula C10H21N3O+2 and a molecular weight of 199.30 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide
PubChem CID20676163
Molecular FormulaC10H21N3O+2
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide
SMILESCNC(=O)C[N+]12CC[N+](C)(CC1)CC2
InChIInChI=1S/C10H20N3O/c1-11-10(14)9-13-6-3-12(2,4-7-13)5-8-13/h3-9H2,1-2H3/q+1/p+1
InChIKeyWWBYOBLLRYLNIL-UHFFFAOYSA-O
XLogP-0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
N,N-diethyl-2-(piperazin-1-yl)acetamide
CID 7131630
2-(Dimethylamino)-1-(piperazin-1-yl)ethan-1-one
CID 16770302
2-(Diethylamino)-1-(piperazin-1-yl)ethan-1-one
CID 16770303
1-(2-(Dimethylamino)ethyl)piperazin-2-one
CID 58002045
Piperazinyldiketone
CID 13750373
N-ethyl-2-(piperazin-1-yl)acetamide
CID 16395007
1-(1,4-Diazoniabicyclo[2.2.2]octan-1-yl)ethanone
CID 134945932
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 8717260
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N-propan-2-ylacetamide
CID 2394974
1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane
CID 3953305
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-propan-2-ylacetamide
CID 8717218

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide?
The IUPAC name of N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide (CID 20676163) is N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide is CNC(=O)C[N+]12CC[N+](C)(CC1)CC2.
What is the InChIKey of N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide?
The InChIKey is WWBYOBLLRYLNIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N3O/c1-11-10(14)9-13-6-3-12(2,4-7-13)5-8-13/h3-9H2,1-2H3/q+1/p+1.
What are the key properties of N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide?
N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide has a molecular weight of 199.30 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide is sourced from PubChem (CID 20676163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).