(2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite

C7H15Cl2N3O2Pt-4 — CID 59411823

IUPAC(2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite
SMILESCl[Pt]Cl.O=N[O-].[CH3-].[NH-]C1CCCCC1[NH-]
InChIInChI=1S/C6H12N2.CH3.2ClH.HNO2.Pt/c7-5-3-1-2-4-6(5)8;;;;2-1-3;/h5-8H,1-4H2;1H3;2*1H;(H,2,3);/q-2;-1;;;;+2/p-3
InChIKeyMDWRFCPMHDLXKU-UHFFFAOYSA-K
MW439.20 g/mol
LogP4.48
Rot. Bonds

About (2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite

(2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite (PubChem CID 59411823) has the molecular formula C7H15Cl2N3O2Pt-4 and a molecular weight of 439.20 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite.

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite
PubChem CID59411823
Molecular FormulaC7H15Cl2N3O2Pt-4
Molecular Weight439.20 g/mol
Exact Mass438.02
IUPAC Name(2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite
SMILESCl[Pt]Cl.O=N[O-].[CH3-].[NH-]C1CCCCC1[NH-]
InChIInChI=1S/C6H12N2.CH3.2ClH.HNO2.Pt/c7-5-3-1-2-4-6(5)8;;;;2-1-3;/h5-8H,1-4H2;1H3;2*1H;(H,2,3);/q-2;-1;;;;+2/p-3
InChIKeyMDWRFCPMHDLXKU-UHFFFAOYSA-K
XLogP4.48
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.20
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-azanidylcyclohexyl)azanide;carbanide;platinum(4+)
CID 59018646
(2-azanidylcyclohexyl)azanide;platinum(4+);dihydroxide
CID 50909744
(2-azanidylcyclohexyl)azanide;carbonic acid;platinum(2+)
CID 171717451
bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite
CID 58115580
bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate
CID 175675477
trans-(1R,2R)-cyclohexane-1,2-diamine;trichloroplatinum;nitrite
CID 87462705
[(1R)-2-azanidylcyclohexyl]azanide;diiodoplatinum(2+)
CID 44826276
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)
CID 6333545
(2-azanidylcyclopentyl)azanide;oxalate;platinum(4+)
CID 138401620
[(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)
CID 90467721
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide
CID 6333896
(2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+)
CID 6711764

Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite?
The IUPAC name of (2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite (CID 59411823) is (2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite.
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite is Cl[Pt]Cl.O=N[O-].[CH3-].[NH-]C1CCCCC1[NH-].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite?
The InChIKey is MDWRFCPMHDLXKU-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H12N2.CH3.2ClH.HNO2.Pt/c7-5-3-1-2-4-6(5)8;;;;2-1-3;/h5-8H,1-4H2;1H3;2*1H;(H,2,3);/q-2;-1;;;;+2/p-3.
What are the key properties of (2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite?
(2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite has a molecular weight of 439.20 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite is sourced from PubChem (CID 59411823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).