[2-(bromoamino)-2-oxoethyl]-triethylazanium

C8H18BrN2O+ — CID 171383905

IUPAC[2-(bromoamino)-2-oxoethyl]-triethylazanium
SMILESCC[N+](CC)(CC)CC(=O)NBr
InChIInChI=1S/C8H17BrN2O/c1-4-11(5-2,6-3)7-8(12)10-9/h4-7H2,1-3H3/p+1
InChIKeyMVQBGHSCJIMVSL-UHFFFAOYSA-O
MW238.15 g/mol
LogP1.29
Rot. Bonds5

About [2-(bromoamino)-2-oxoethyl]-triethylazanium

[2-(bromoamino)-2-oxoethyl]-triethylazanium (PubChem CID 171383905) has the molecular formula C8H18BrN2O+ and a molecular weight of 238.15 g/mol. Its IUPAC name is [2-(bromoamino)-2-oxoethyl]-triethylazanium.

Molecular Properties

Compound Name[2-(bromoamino)-2-oxoethyl]-triethylazanium
PubChem CID171383905
Molecular FormulaC8H18BrN2O+
Molecular Weight238.15 g/mol
Exact Mass237.06
IUPAC Name[2-(bromoamino)-2-oxoethyl]-triethylazanium
SMILESCC[N+](CC)(CC)CC(=O)NBr
InChIInChI=1S/C8H17BrN2O/c1-4-11(5-2,6-3)7-8(12)10-9/h4-7H2,1-3H3/p+1
InChIKeyMVQBGHSCJIMVSL-UHFFFAOYSA-O
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Dimethylamino)acetamide
CID 230116
2-(Diethylamino)acetamide
CID 139014
Acetamide, 2-(diisopropylamino)-
CID 202065
Acetamide, N-(2-(diethylamino)ethyl)-2-(dimethylamino)-
CID 3086952
2-Amino-N,N,N-trimethyl-2-oxoethanaminium
CID 27987
2-{[2-(dimethylamino)ethyl]amino}-N,N-dimethylacetamide
CID 28586826
N-Ethylglycine diethylamide
CID 15103970
2-[(2-Aminoethyl)(methyl)amino]-N,N-dimethylacetamide
CID 43374707
(2-Amino-2-oxoethyl)-triethylazanium
CID 57003135
2-[4,7-Bis(2-amino-2-oxoethyl)-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 90945346
2-((2-((2-Amino-2-oxoethyl)amino)ethyl)(diethyl)-lambda~5~-azanyl)acetamide
CID 418037
Acetamide, 2-(dipropylamino)-
CID 264002

Frequently Asked Questions

What is the IUPAC name of [2-(bromoamino)-2-oxoethyl]-triethylazanium?
The IUPAC name of [2-(bromoamino)-2-oxoethyl]-triethylazanium (CID 171383905) is [2-(bromoamino)-2-oxoethyl]-triethylazanium.
What is the SMILES notation for [2-(bromoamino)-2-oxoethyl]-triethylazanium?
The canonical SMILES for [2-(bromoamino)-2-oxoethyl]-triethylazanium is CC[N+](CC)(CC)CC(=O)NBr.
What is the InChIKey of [2-(bromoamino)-2-oxoethyl]-triethylazanium?
The InChIKey is MVQBGHSCJIMVSL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17BrN2O/c1-4-11(5-2,6-3)7-8(12)10-9/h4-7H2,1-3H3/p+1.
What are the key properties of [2-(bromoamino)-2-oxoethyl]-triethylazanium?
[2-(bromoamino)-2-oxoethyl]-triethylazanium has a molecular weight of 238.15 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromoamino)-2-oxoethyl]-triethylazanium is sourced from PubChem (CID 171383905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).