magnesium;(2S)-2-methanidylbutane;bromide

C5H11BrMg — CID 10921031

IUPACmagnesium;(2S)-2-methanidylbutane;bromide
SMILES[Br-].[CH2-][C@@H](C)CC.[Mg+2]
InChIInChI=1S/C5H11.BrH.Mg/c1-4-5(2)3;;/h5H,2,4H2,1,3H3;1H;/q-1;;+2/p-1/t5-;;/m0../s1
InChIKeyBWXRAPAVYLNVEV-XRIGFGBMSA-M
MW175.35 g/mol
LogP-1.51
Rot. Bonds1

About magnesium;(2S)-2-methanidylbutane;bromide

magnesium;(2S)-2-methanidylbutane;bromide (PubChem CID 10921031) has the molecular formula C5H11BrMg and a molecular weight of 175.35 g/mol. Its IUPAC name is magnesium;(2S)-2-methanidylbutane;bromide.

Molecular Properties

Compound Namemagnesium;(2S)-2-methanidylbutane;bromide
PubChem CID10921031
Molecular FormulaC5H11BrMg
Molecular Weight175.35 g/mol
Exact Mass173.99
IUPAC Namemagnesium;(2S)-2-methanidylbutane;bromide
SMILES[Br-].[CH2-][C@@H](C)CC.[Mg+2]
InChIInChI=1S/C5H11.BrH.Mg/c1-4-5(2)3;;/h5H,2,4H2,1,3H3;1H;/q-1;;+2/p-1/t5-;;/m0../s1
InChIKeyBWXRAPAVYLNVEV-XRIGFGBMSA-M
XLogP-1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.35
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;(2S)-2-methanidylbutane;bromide?
The IUPAC name of magnesium;(2S)-2-methanidylbutane;bromide (CID 10921031) is magnesium;(2S)-2-methanidylbutane;bromide.
What is the SMILES notation for magnesium;(2S)-2-methanidylbutane;bromide?
The canonical SMILES for magnesium;(2S)-2-methanidylbutane;bromide is [Br-].[CH2-][C@@H](C)CC.[Mg+2].
What is the InChIKey of magnesium;(2S)-2-methanidylbutane;bromide?
The InChIKey is BWXRAPAVYLNVEV-XRIGFGBMSA-M. The full InChI is InChI=1S/C5H11.BrH.Mg/c1-4-5(2)3;;/h5H,2,4H2,1,3H3;1H;/q-1;;+2/p-1/t5-;;/m0../s1.
What are the key properties of magnesium;(2S)-2-methanidylbutane;bromide?
magnesium;(2S)-2-methanidylbutane;bromide has a molecular weight of 175.35 g/mol, XLogP of -1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2S)-2-methanidylbutane;bromide is sourced from PubChem (CID 10921031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).