oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine

C8H16N2O4Pt+2 — CID 163285607

IUPACoxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
SMILESN[C@H]1CCCC[C@@H]1N.O=C(O)C(=O)O.[Pt+2]
InChIInChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/t5-,6-;;/m0../s1
InChIKeyZROHGHOFXNOHSO-USPAICOZSA-N
MW399.30 g/mol
LogP-0.63
Rot. Bonds

About oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine

oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine (PubChem CID 163285607) has the molecular formula C8H16N2O4Pt+2 and a molecular weight of 399.30 g/mol. Its IUPAC name is oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine.

Molecular Properties

Compound Nameoxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
PubChem CID163285607
Molecular FormulaC8H16N2O4Pt+2
Molecular Weight399.30 g/mol
Exact Mass399.07
IUPAC Nameoxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
SMILESN[C@H]1CCCC[C@@H]1N.O=C(O)C(=O)O.[Pt+2]
InChIInChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/t5-,6-;;/m0../s1
InChIKeyZROHGHOFXNOHSO-USPAICOZSA-N
XLogP-0.63
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
acetic acid;cyclohexane-1,2-diamine
CID 67321744
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
(2R,3R)-2,3-dihydroxybutanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175900001
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
2-hydroxyacetic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 88686306
bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
CID 173119560
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829

Frequently Asked Questions

What is the IUPAC name of oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine?
The IUPAC name of oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine (CID 163285607) is oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine.
What is the SMILES notation for oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine?
The canonical SMILES for oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine is N[C@H]1CCCC[C@@H]1N.O=C(O)C(=O)O.[Pt+2].
What is the InChIKey of oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine?
The InChIKey is ZROHGHOFXNOHSO-USPAICOZSA-N. The full InChI is InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/t5-,6-;;/m0../s1.
What are the key properties of oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine?
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine has a molecular weight of 399.30 g/mol, XLogP of -0.63, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine is sourced from PubChem (CID 163285607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).