ethyl(hydroxy)azanium bromide

C2H8BrNO — CID 87389674

IUPACethyl(hydroxy)azanium bromide
SMILESCC[NH2+]O.[Br-]
InChIInChI=1S/C2H7NO.BrH/c1-2-3-4;/h3-4H,2H2,1H3;1H
InChIKeyJMHDLRFJHQWALP-UHFFFAOYSA-N
MW142.00 g/mol
LogP-4.04
Rot. Bonds1

About ethyl(hydroxy)azanium bromide

ethyl(hydroxy)azanium bromide (PubChem CID 87389674) has the molecular formula C2H8BrNO and a molecular weight of 142.00 g/mol. Its IUPAC name is ethyl(hydroxy)azanium bromide.

Molecular Properties

Compound Nameethyl(hydroxy)azanium bromide
PubChem CID87389674
Molecular FormulaC2H8BrNO
Molecular Weight142.00 g/mol
Exact Mass140.98
IUPAC Nameethyl(hydroxy)azanium bromide
SMILESCC[NH2+]O.[Br-]
InChIInChI=1S/C2H7NO.BrH/c1-2-3-4;/h3-4H,2H2,1H3;1H
InChIKeyJMHDLRFJHQWALP-UHFFFAOYSA-N
XLogP-4.04
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.00
LogP ≤ 5-4.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethanamine, N-hydroxy-
CID 164700
N-Ethylhydroxylamine hydrochloride
CID 10219386
N-propylhydroxylamine
CID 10148984
Hydroxylamine, n-ethyl-, hydrochloride
CID 517424
Ethylamine oxide
CID 19390107
Propylamine oxide
CID 21226530
N-propylhydroxylamine hydrochloride
CID 12355438
ethane;N-propylhydroxylamine
CID 17807311
Ethyl(hydroxy)azanium
CID 18475177
N-(1-aminoethyl)hydroxylamine
CID 19078364
Ethyl(hydroxy)azanium hydroxide
CID 20233574
Ethyl(dihydroxy)azanium
CID 20565203

Frequently Asked Questions

What is the IUPAC name of ethyl(hydroxy)azanium bromide?
The IUPAC name of ethyl(hydroxy)azanium bromide (CID 87389674) is ethyl(hydroxy)azanium bromide.
What is the SMILES notation for ethyl(hydroxy)azanium bromide?
The canonical SMILES for ethyl(hydroxy)azanium bromide is CC[NH2+]O.[Br-].
What is the InChIKey of ethyl(hydroxy)azanium bromide?
The InChIKey is JMHDLRFJHQWALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.BrH/c1-2-3-4;/h3-4H,2H2,1H3;1H.
What are the key properties of ethyl(hydroxy)azanium bromide?
ethyl(hydroxy)azanium bromide has a molecular weight of 142.00 g/mol, XLogP of -4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(hydroxy)azanium bromide is sourced from PubChem (CID 87389674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).