magnesium;diphenylmethanediamine;hydride;hydrate

C13H18MgN2O — CID 174948742

IUPACmagnesium;diphenylmethanediamine;hydride;hydrate
SMILESNC(N)(c1ccccc1)c1ccccc1.O.[H-].[H-].[Mg+2]
InChIInChI=1S/C13H14N2.Mg.H2O.2H/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;;/h1-10H,14-15H2;;1H2;;/q;+2;;2*-1
InChIKeyCOFMBGZDSJMMAW-UHFFFAOYSA-N
MW242.61 g/mol
LogP0.82
Rot. Bonds2

About magnesium;diphenylmethanediamine;hydride;hydrate

magnesium;diphenylmethanediamine;hydride;hydrate (PubChem CID 174948742) has the molecular formula C13H18MgN2O and a molecular weight of 242.61 g/mol. Its IUPAC name is magnesium;diphenylmethanediamine;hydride;hydrate.

Molecular Properties

Compound Namemagnesium;diphenylmethanediamine;hydride;hydrate
PubChem CID174948742
Molecular FormulaC13H18MgN2O
Molecular Weight242.61 g/mol
Exact Mass242.13
IUPAC Namemagnesium;diphenylmethanediamine;hydride;hydrate
SMILESNC(N)(c1ccccc1)c1ccccc1.O.[H-].[H-].[Mg+2]
InChIInChI=1S/C13H14N2.Mg.H2O.2H/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;;/h1-10H,14-15H2;;1H2;;/q;+2;;2*-1
InChIKeyCOFMBGZDSJMMAW-UHFFFAOYSA-N
XLogP0.82
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.61
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

diphenylmethanediamine;isocyanic acid
CID 88520977
(4-ethylphenyl)-phenylmethanediamine
CID 139628675
1,1-diphenylethanamine
CID 12761172
cyclohexanamine;diphenylmethanediamine
CID 175293358
(1R)-1-iodo-1-phenylethanamine
CID 68727841
1,1-diphenylethane-1,2-diamine;platinum
CID 174501053
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
1,1-diphenylethane-1,2-diamine;hydrochloride
CID 139989781
tritylphosphane;hydrate
CID 173373221
CID 173259273
CID 173259273
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713

Frequently Asked Questions

What is the IUPAC name of magnesium;diphenylmethanediamine;hydride;hydrate?
The IUPAC name of magnesium;diphenylmethanediamine;hydride;hydrate (CID 174948742) is magnesium;diphenylmethanediamine;hydride;hydrate.
What is the SMILES notation for magnesium;diphenylmethanediamine;hydride;hydrate?
The canonical SMILES for magnesium;diphenylmethanediamine;hydride;hydrate is NC(N)(c1ccccc1)c1ccccc1.O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;diphenylmethanediamine;hydride;hydrate?
The InChIKey is COFMBGZDSJMMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.Mg.H2O.2H/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;;/h1-10H,14-15H2;;1H2;;/q;+2;;2*-1.
What are the key properties of magnesium;diphenylmethanediamine;hydride;hydrate?
magnesium;diphenylmethanediamine;hydride;hydrate has a molecular weight of 242.61 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;diphenylmethanediamine;hydride;hydrate is sourced from PubChem (CID 174948742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).