trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite

C6H14Cl3N3O2Pt- — CID 87462705

IUPACtrans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite
SMILESCl[Pt](Cl)Cl.N[C@@H]1CCCC[C@H]1N.O=N[O-]
InChIInChI=1S/C6H14N2.3ClH.HNO2.Pt/c7-5-3-1-2-4-6(5)8;;;;2-1-3;/h5-6H,1-4,7-8H2;3*1H;(H,2,3);/q;;;;;+3/p-4/t5-,6-;;;;;/m1...../s1
InChIKeyCSLJEHBYODFOEP-RQDPQJJXSA-J
MW461.63 g/mol
LogP2.53
Rot. Bonds

About trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite

trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite (PubChem CID 87462705) has the molecular formula C6H14Cl3N3O2Pt- and a molecular weight of 461.63 g/mol. Its IUPAC name is trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite.

Molecular Properties

Compound Nametrans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite
PubChem CID87462705
Molecular FormulaC6H14Cl3N3O2Pt-
Molecular Weight461.63 g/mol
Exact Mass459.98
IUPAC Nametrans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite
SMILESCl[Pt](Cl)Cl.N[C@@H]1CCCC[C@H]1N.O=N[O-]
InChIInChI=1S/C6H14N2.3ClH.HNO2.Pt/c7-5-3-1-2-4-6(5)8;;;;2-1-3;/h5-6H,1-4,7-8H2;3*1H;(H,2,3);/q;;;;;+3/p-4/t5-,6-;;;;;/m1...../s1
InChIKeyCSLJEHBYODFOEP-RQDPQJJXSA-J
XLogP2.53
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate
CID 3049901
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
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
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
acetic acid;cyclohexane-1,2-diamine
CID 67321744

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite?
The IUPAC name of trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite (CID 87462705) is trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite.
What is the SMILES notation for trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite?
The canonical SMILES for trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite is Cl[Pt](Cl)Cl.N[C@@H]1CCCC[C@H]1N.O=N[O-].
What is the InChIKey of trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite?
The InChIKey is CSLJEHBYODFOEP-RQDPQJJXSA-J. The full InChI is InChI=1S/C6H14N2.3ClH.HNO2.Pt/c7-5-3-1-2-4-6(5)8;;;;2-1-3;/h5-6H,1-4,7-8H2;3*1H;(H,2,3);/q;;;;;+3/p-4/t5-,6-;;;;;/m1...../s1.
What are the key properties of trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite?
trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite has a molecular weight of 461.63 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite is sourced from PubChem (CID 87462705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).