cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate

C6H15N2O4PPt — CID 3049901

IUPACcyclohexane-1,2-diamine;hydron;platinum(2+);phosphate
SMILESNC1CCCCC1N.O=P([O-])([O-])[O-].[H+].[Pt+2]
InChIInChI=1S/C6H14N2.H3O4P.Pt/c7-5-3-1-2-4-6(5)8;1-5(2,3)4;/h5-6H,1-4,7-8H2;(H3,1,2,3,4);/q;;+2/p-2
InChIKeyLVCMCNWJPZSGKW-UHFFFAOYSA-L
MW405.25 g/mol
LogP-2.50
Rot. Bonds

About cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate

cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate (PubChem CID 3049901) has the molecular formula C6H15N2O4PPt and a molecular weight of 405.25 g/mol. Its IUPAC name is cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate.

Molecular Properties

Compound Namecyclohexane-1,2-diamine;hydron;platinum(2+);phosphate
PubChem CID3049901
Molecular FormulaC6H15N2O4PPt
Molecular Weight405.25 g/mol
Exact Mass405.04
IUPAC Namecyclohexane-1,2-diamine;hydron;platinum(2+);phosphate
SMILESNC1CCCCC1N.O=P([O-])([O-])[O-].[H+].[Pt+2]
InChIInChI=1S/C6H14N2.H3O4P.Pt/c7-5-3-1-2-4-6(5)8;1-5(2,3)4;/h5-6H,1-4,7-8H2;(H3,1,2,3,4);/q;;+2/p-2
InChIKeyLVCMCNWJPZSGKW-UHFFFAOYSA-L
XLogP-2.50
TPSA138.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 5-2.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
hydroxy-[[hydroxy(oxido)phosphoryl]methyl]phosphinate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 11225437
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
CID 173119560
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
(2R,3R)-2,3-dihydroxybutanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175900001
cyclohexane-1,2-diamine;propane-1,3-diamine
CID 162135343

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate?
The IUPAC name of cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate (CID 3049901) is cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate.
What is the SMILES notation for cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate?
The canonical SMILES for cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate is NC1CCCCC1N.O=P([O-])([O-])[O-].[H+].[Pt+2].
What is the InChIKey of cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate?
The InChIKey is LVCMCNWJPZSGKW-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14N2.H3O4P.Pt/c7-5-3-1-2-4-6(5)8;1-5(2,3)4;/h5-6H,1-4,7-8H2;(H3,1,2,3,4);/q;;+2/p-2.
What are the key properties of cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate?
cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate has a molecular weight of 405.25 g/mol, XLogP of -2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate is sourced from PubChem (CID 3049901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).