(2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate

C34H68N2O5Pt — CID 131851748

IUPAC(2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].O.[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/2C14H28O2.C6H12N2.H2O.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;;/h2*2-13H2,1H3,(H,15,16);5-8H,1-4H2;1H2;/q;;-2;;+4/p-2
InChIKeyWZWIBBOCDPYATH-UHFFFAOYSA-L
MW780.00 g/mol
LogP8.45
Rot. Bonds24

About (2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate

(2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate (PubChem CID 131851748) has the molecular formula C34H68N2O5Pt and a molecular weight of 780.00 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate.

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate
PubChem CID131851748
Molecular FormulaC34H68N2O5Pt
Molecular Weight780.00 g/mol
Exact Mass779.48
IUPAC Name(2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].O.[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/2C14H28O2.C6H12N2.H2O.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;;/h2*2-13H2,1H3,(H,15,16);5-8H,1-4H2;1H2;/q;;-2;;+4/p-2
InChIKeyWZWIBBOCDPYATH-UHFFFAOYSA-L
XLogP8.45
TPSA159.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.00
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
docosanoate;platinum(4+)
CID 173129133
cyclohexane;manganese(2+);bis(octadecanoate)
CID 174888958
azanium;heptanoate;tetrahydrate
CID 172723496
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
decanoate;lanthanum(3+)
CID 21139452
dimagnesium;octadecanoate
CID 19105820

Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate?
The IUPAC name of (2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate (CID 131851748) is (2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate.
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate is CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].O.[NH-]C1CCCCC1[NH-].[Pt+4].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate?
The InChIKey is WZWIBBOCDPYATH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H28O2.C6H12N2.H2O.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;;/h2*2-13H2,1H3,(H,15,16);5-8H,1-4H2;1H2;/q;;-2;;+4/p-2.
What are the key properties of (2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate?
(2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate has a molecular weight of 780.00 g/mol, XLogP of 8.45, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate is sourced from PubChem (CID 131851748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).