[(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)

C26H52N2O4Pt — CID 24812603

IUPAC[(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)
SMILESCCC(CC)CC(C)(C)C(=O)O.CCC(CC)CC(C)(C)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
InChIInChI=1S/2C10H20O2.C6H12N2.Pt/c2*1-5-8(6-2)7-10(3,4)9(11)12;7-5-3-1-2-4-6(5)8;/h2*8H,5-7H2,1-4H3,(H,11,12);5-8H,1-4H2;/q;;-2;+2/t;;5-,6-;/m..1./s1
InChIKeyLREKXDNIYQOSCW-BLUNCNMSSA-N
MW651.79 g/mol
LogP8.25
Rot. Bonds10

About [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)

[(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+) (PubChem CID 24812603) has the molecular formula C26H52N2O4Pt and a molecular weight of 651.79 g/mol. Its IUPAC name is [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+).

Molecular Properties

Compound Name[(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)
PubChem CID24812603
Molecular FormulaC26H52N2O4Pt
Molecular Weight651.79 g/mol
Exact Mass651.36
IUPAC Name[(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)
SMILESCCC(CC)CC(C)(C)C(=O)O.CCC(CC)CC(C)(C)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
InChIInChI=1S/2C10H20O2.C6H12N2.Pt/c2*1-5-8(6-2)7-10(3,4)9(11)12;7-5-3-1-2-4-6(5)8;/h2*8H,5-7H2,1-4H3,(H,11,12);5-8H,1-4H2;/q;;-2;+2/t;;5-,6-;/m..1./s1
InChIKeyLREKXDNIYQOSCW-BLUNCNMSSA-N
XLogP8.25
TPSA122.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.79
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+) with MolForge

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Launch Full Analysis

Related Compounds

4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908334
4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908335
2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
CID 113360497
4-(dimethylamino)-2,2-dimethyl-4-(oxan-4-yl)butanoic acid
CID 116908336
2,2,4-trimethylhexanoic acid
CID 15564208
4-amino-2,2-dimethylhexanoic acid
CID 91454797
2-cyclohexyl-4-ethylhexan-2-ol
CID 114794849
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+)
CID 58519217
4-[4-(5-carboxy-5-methylhexan-3-yl)phenyl]-2,2-dimethylhexanoic acid
CID 90345851
2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
CID 62405641
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)?
The IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+) (CID 24812603) is [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+).
What is the SMILES notation for [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)?
The canonical SMILES for [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+) is CCC(CC)CC(C)(C)C(=O)O.CCC(CC)CC(C)(C)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].
What is the InChIKey of [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)?
The InChIKey is LREKXDNIYQOSCW-BLUNCNMSSA-N. The full InChI is InChI=1S/2C10H20O2.C6H12N2.Pt/c2*1-5-8(6-2)7-10(3,4)9(11)12;7-5-3-1-2-4-6(5)8;/h2*8H,5-7H2,1-4H3,(H,11,12);5-8H,1-4H2;/q;;-2;+2/t;;5-,6-;/m..1./s1.
What are the key properties of [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)?
[(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+) has a molecular weight of 651.79 g/mol, XLogP of 8.25, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+) is sourced from PubChem (CID 24812603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).