2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium

C6H14BrN2O+ — CID 102380329

IUPAC2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
SMILESCC(C)(Br)C(=O)NCC[NH3+]
InChIInChI=1S/C6H13BrN2O/c1-6(2,7)5(10)9-4-3-8/h3-4,8H2,1-2H3,(H,9,10)/p+1
InChIKeyOORPSDUNNZYIIB-UHFFFAOYSA-O
MW210.09 g/mol
LogP-0.48
Rot. Bonds3

About 2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium

2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium (PubChem CID 102380329) has the molecular formula C6H14BrN2O+ and a molecular weight of 210.09 g/mol. Its IUPAC name is 2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium.

Molecular Properties

Compound Name2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
PubChem CID102380329
Molecular FormulaC6H14BrN2O+
Molecular Weight210.09 g/mol
Exact Mass209.03
IUPAC Name2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
SMILESCC(C)(Br)C(=O)NCC[NH3+]
InChIInChI=1S/C6H13BrN2O/c1-6(2,7)5(10)9-4-3-8/h3-4,8H2,1-2H3,(H,9,10)/p+1
InChIKeyOORPSDUNNZYIIB-UHFFFAOYSA-O
XLogP-0.48
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-bromo-N-but-3-enyl-2-methylpropanamide
CID 114329137
2-bromo-N-but-3-ynyl-2-methylpropanamide
CID 114328738
2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
CID 36688932
2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
CID 114329061
2-bromo-2-methyl-N-pent-4-ynylpropanamide
CID 106220855
2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide
CID 89235308
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555
2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
CID 176959577
2-bromo-2-methyl-N-prop-2-ynylpropanamide
CID 101481850
2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide
CID 114328747
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium?
The IUPAC name of 2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium (CID 102380329) is 2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium.
What is the SMILES notation for 2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium?
The canonical SMILES for 2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium is CC(C)(Br)C(=O)NCC[NH3+].
What is the InChIKey of 2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium?
The InChIKey is OORPSDUNNZYIIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13BrN2O/c1-6(2,7)5(10)9-4-3-8/h3-4,8H2,1-2H3,(H,9,10)/p+1.
What are the key properties of 2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium?
2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium has a molecular weight of 210.09 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium is sourced from PubChem (CID 102380329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).