dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine

C6H20N2O2Pt+4 — CID 59971329

IUPACdioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1N.[OH3+].[OH3+].[Pt+2]
InChIInChI=1S/C6H14N2.2H2O.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-6H,1-4,7-8H2;2*1H2;/q;;;+2/p+2/t5-,6-;;;/m1.../s1
InChIKeyFWZZTLRIXBYOKR-SKSSAGQDSA-P
MW347.32 g/mol
LogP-1.63
Rot. Bonds

About dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine

dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine (PubChem CID 59971329) has the molecular formula C6H20N2O2Pt+4 and a molecular weight of 347.32 g/mol. Its IUPAC name is dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine.

Molecular Properties

Compound Namedioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
PubChem CID59971329
Molecular FormulaC6H20N2O2Pt+4
Molecular Weight347.32 g/mol
Exact Mass347.12
IUPAC Namedioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1N.[OH3+].[OH3+].[Pt+2]
InChIInChI=1S/C6H14N2.2H2O.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-6H,1-4,7-8H2;2*1H2;/q;;;+2/p+2/t5-,6-;;;/m1.../s1
InChIKeyFWZZTLRIXBYOKR-SKSSAGQDSA-P
XLogP-1.63
TPSA118.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
CID 139198738
tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
CID 139176759
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
CID 66730598
platinum;trans-(1R,2R)-cyclopentane-1,2-diamine
CID 87290141
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate
CID 3049901
cyclohexane-1,2-diamine;propane-1,3-diamine
CID 162135343
acetic acid;cyclohexane-1,2-diamine
CID 67321744

Frequently Asked Questions

What is the IUPAC name of dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The IUPAC name of dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine (CID 59971329) is dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine.
What is the SMILES notation for dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The canonical SMILES for dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1N.[OH3+].[OH3+].[Pt+2].
What is the InChIKey of dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The InChIKey is FWZZTLRIXBYOKR-SKSSAGQDSA-P. The full InChI is InChI=1S/C6H14N2.2H2O.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-6H,1-4,7-8H2;2*1H2;/q;;;+2/p+2/t5-,6-;;;/m1.../s1.
What are the key properties of dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine has a molecular weight of 347.32 g/mol, XLogP of -1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine is sourced from PubChem (CID 59971329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).