2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)

C17H26N2O4Pt — CID 53348953

IUPAC2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)
SMILESCCOCC(=O)[O-].N[C@@H]1CCCC[C@H]1NCc1ccccc1[O-].[Pt+2]
InChIInChI=1S/C13H20N2O.C4H8O3.Pt/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16;1-2-7-3-4(5)6;/h1,4-5,8,11-12,15-16H,2-3,6-7,9,14H2;2-3H2,1H3,(H,5,6);/q;;+2/p-2/t11-,12-;;/m1../s1
InChIKeyRXNPVAFLVYKAAD-MBORUXJMSA-L
MW517.48 g/mol
LogP-0.11
Rot. Bonds6

About 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)

2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+) (PubChem CID 53348953) has the molecular formula C17H26N2O4Pt and a molecular weight of 517.48 g/mol. Its IUPAC name is 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+).

Molecular Properties

Compound Name2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)
PubChem CID53348953
Molecular FormulaC17H26N2O4Pt
Molecular Weight517.48 g/mol
Exact Mass517.15
IUPAC Name2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)
SMILESCCOCC(=O)[O-].N[C@@H]1CCCC[C@H]1NCc1ccccc1[O-].[Pt+2]
InChIInChI=1S/C13H20N2O.C4H8O3.Pt/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16;1-2-7-3-4(5)6;/h1,4-5,8,11-12,15-16H,2-3,6-7,9,14H2;2-3H2,1H3,(H,5,6);/q;;+2/p-2/t11-,12-;;/m1../s1
InChIKeyRXNPVAFLVYKAAD-MBORUXJMSA-L
XLogP-0.11
TPSA110.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.48
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+) with MolForge

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Related Compounds

2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+)
CID 53348843
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-methylphenyl)acetamide
CID 93452351
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)
CID 54591000
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
CID 25192413
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide
CID 93452521
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
2-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1,2-diamine
CID 115118101
N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 64762280
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)?
The IUPAC name of 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+) (CID 53348953) is 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+).
What is the SMILES notation for 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)?
The canonical SMILES for 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+) is CCOCC(=O)[O-].N[C@@H]1CCCC[C@H]1NCc1ccccc1[O-].[Pt+2].
What is the InChIKey of 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)?
The InChIKey is RXNPVAFLVYKAAD-MBORUXJMSA-L. The full InChI is InChI=1S/C13H20N2O.C4H8O3.Pt/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16;1-2-7-3-4(5)6;/h1,4-5,8,11-12,15-16H,2-3,6-7,9,14H2;2-3H2,1H3,(H,5,6);/q;;+2/p-2/t11-,12-;;/m1../s1.
What are the key properties of 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)?
2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+) has a molecular weight of 517.48 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+) is sourced from PubChem (CID 53348953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).