magnesium;aniline;carbanide

C8H13MgN — CID 87207909

IUPACmagnesium;aniline;carbanide
SMILESNc1ccccc1.[CH3-].[CH3-].[Mg+2]
InChIInChI=1S/C6H7N.2CH3.Mg/c7-6-4-2-1-3-5-6;;;/h1-5H,7H2;2*1H3;/q;2*-1;+2
InChIKeySYODXCSXCJEBOB-UHFFFAOYSA-N
MW147.50 g/mol
LogP1.79
Rot. Bonds

About magnesium;aniline;carbanide

magnesium;aniline;carbanide (PubChem CID 87207909) has the molecular formula C8H13MgN and a molecular weight of 147.50 g/mol. Its IUPAC name is magnesium;aniline;carbanide.

Molecular Properties

Compound Namemagnesium;aniline;carbanide
PubChem CID87207909
Molecular FormulaC8H13MgN
Molecular Weight147.50 g/mol
Exact Mass147.09
IUPAC Namemagnesium;aniline;carbanide
SMILESNc1ccccc1.[CH3-].[CH3-].[Mg+2]
InChIInChI=1S/C6H7N.2CH3.Mg/c7-6-4-2-1-3-5-6;;;/h1-5H,7H2;2*1H3;/q;2*-1;+2
InChIKeySYODXCSXCJEBOB-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

aniline;carbanide;hafnium
CID 158735732
aniline;mercury
CID 54604260
aniline;mercury(2+)
CID 23616182
aniline;azane
CID 171780637
aniline;niobium
CID 161015220
aniline;carbanide;ethane;yttrium
CID 160556611
aniline;pentakis(oxygen(2-));bis(vanadium)
CID 173287766
zinc;aniline;dichloride
CID 70636252
aniline;sulfane;hydrofluoride
CID 174744569
CID 158400952
CID 158400952
aniline;methylphosphane
CID 142605603
aniline;cyclobutane
CID 174919664

Frequently Asked Questions

What is the IUPAC name of magnesium;aniline;carbanide?
The IUPAC name of magnesium;aniline;carbanide (CID 87207909) is magnesium;aniline;carbanide.
What is the SMILES notation for magnesium;aniline;carbanide?
The canonical SMILES for magnesium;aniline;carbanide is Nc1ccccc1.[CH3-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;aniline;carbanide?
The InChIKey is SYODXCSXCJEBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2CH3.Mg/c7-6-4-2-1-3-5-6;;;/h1-5H,7H2;2*1H3;/q;2*-1;+2.
What are the key properties of magnesium;aniline;carbanide?
magnesium;aniline;carbanide has a molecular weight of 147.50 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;aniline;carbanide is sourced from PubChem (CID 87207909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).