bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)

C16H28N4O8Pt — CID 173119560

IUPACbis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
SMILESNC1CCCCC1N.NC1CCCCC1N.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Pt+4]
InChIInChI=1S/2C6H14N2.2C2H2O4.Pt/c2*7-5-3-1-2-4-6(5)8;2*3-1(4)2(5)6;/h2*5-6H,1-4,7-8H2;2*(H,3,4)(H,5,6);/q;;;;+4/p-4
InChIKeyKQVABXXPQJTRNP-UHFFFAOYSA-J
MW599.50 g/mol
LogP-6.60
Rot. Bonds

About bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)

bis(cyclohexane-1,2-diamine);oxalate;platinum(4+) (PubChem CID 173119560) has the molecular formula C16H28N4O8Pt and a molecular weight of 599.50 g/mol. Its IUPAC name is bis(cyclohexane-1,2-diamine);oxalate;platinum(4+).

Molecular Properties

Compound Namebis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
PubChem CID173119560
Molecular FormulaC16H28N4O8Pt
Molecular Weight599.50 g/mol
Exact Mass599.16
IUPAC Namebis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
SMILESNC1CCCCC1N.NC1CCCCC1N.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Pt+4]
InChIInChI=1S/2C6H14N2.2C2H2O4.Pt/c2*7-5-3-1-2-4-6(5)8;2*3-1(4)2(5)6;/h2*5-6H,1-4,7-8H2;2*(H,3,4)(H,5,6);/q;;;;+4/p-4
InChIKeyKQVABXXPQJTRNP-UHFFFAOYSA-J
XLogP-6.60
TPSA264.60 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.50
LogP ≤ 5-6.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 173094368
(2R,3R)-2,3-dihydroxybutanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175900001
acetic acid;cyclohexane-1,2-diamine
CID 67321744
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 174860804
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
CID 76683836
(2-azanidylcyclopentyl)azanide;oxalate;platinum(4+)
CID 138401620

Frequently Asked Questions

What is the IUPAC name of bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)?
The IUPAC name of bis(cyclohexane-1,2-diamine);oxalate;platinum(4+) (CID 173119560) is bis(cyclohexane-1,2-diamine);oxalate;platinum(4+).
What is the SMILES notation for bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)?
The canonical SMILES for bis(cyclohexane-1,2-diamine);oxalate;platinum(4+) is NC1CCCCC1N.NC1CCCCC1N.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Pt+4].
What is the InChIKey of bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)?
The InChIKey is KQVABXXPQJTRNP-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H14N2.2C2H2O4.Pt/c2*7-5-3-1-2-4-6(5)8;2*3-1(4)2(5)6;/h2*5-6H,1-4,7-8H2;2*(H,3,4)(H,5,6);/q;;;;+4/p-4.
What are the key properties of bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)?
bis(cyclohexane-1,2-diamine);oxalate;platinum(4+) has a molecular weight of 599.50 g/mol, XLogP of -6.60, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexane-1,2-diamine);oxalate;platinum(4+) is sourced from PubChem (CID 173119560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).