bromomethanamine;hydron

CH5BrN+ — CID 174955296

IUPACbromomethanamine;hydron
SMILESNCBr.[H+]
InChIInChI=1S/CH4BrN/c2-1-3/h1,3H2/p+1
InChIKeyQWVSXPISPLPZQU-UHFFFAOYSA-O
MW110.96 g/mol
LogP0.41
Rot. Bonds

About bromomethanamine;hydron

bromomethanamine;hydron (PubChem CID 174955296) has the molecular formula CH5BrN+ and a molecular weight of 110.96 g/mol. Its IUPAC name is bromomethanamine;hydron.

Molecular Properties

Compound Namebromomethanamine;hydron
PubChem CID174955296
Molecular FormulaCH5BrN+
Molecular Weight110.96 g/mol
Exact Mass109.96
IUPAC Namebromomethanamine;hydron
SMILESNCBr.[H+]
InChIInChI=1S/CH4BrN/c2-1-3/h1,3H2/p+1
InChIKeyQWVSXPISPLPZQU-UHFFFAOYSA-O
XLogP0.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.96
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromomethanamine;hydrochloride
CID 141040289
3-bromopropan-1-amine;hydron
CID 174641241
2-bromoethanamine;hydrobromide
CID 2774217
ethane-1,2-diamine;hydron
CID 175410368
2-bromoethanamine;hypobromous acid
CID 159414282
ethanamine;ethane
CID 22406574
ethane;methane;methanediamine
CID 159003496
ethanamine;ethane
CID 142339743
2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
CID 76974623
3-bromopropan-1-amine;hydrochloride
CID 12860765
ethane;ethane-1,2-diamine;dihydrochloride
CID 168908211
6-bromohexan-1-amine
CID 3650626

Frequently Asked Questions

What is the IUPAC name of bromomethanamine;hydron?
The IUPAC name of bromomethanamine;hydron (CID 174955296) is bromomethanamine;hydron.
What is the SMILES notation for bromomethanamine;hydron?
The canonical SMILES for bromomethanamine;hydron is NCBr.[H+].
What is the InChIKey of bromomethanamine;hydron?
The InChIKey is QWVSXPISPLPZQU-UHFFFAOYSA-O. The full InChI is InChI=1S/CH4BrN/c2-1-3/h1,3H2/p+1.
What are the key properties of bromomethanamine;hydron?
bromomethanamine;hydron has a molecular weight of 110.96 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethanamine;hydron is sourced from PubChem (CID 174955296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).