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

C15H21ClN2O3Pt — CID 53348843

IUPAC2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+)
SMILESN[C@@H]1CCCC[C@H]1NCc1ccccc1[O-].O=C([O-])CCl.[Pt+2]
InChIInChI=1S/C13H20N2O.C2H3ClO2.Pt/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16;3-1-2(4)5;/h1,4-5,8,11-12,15-16H,2-3,6-7,9,14H2;1H2,(H,4,5);/q;;+2/p-2/t11-,12-;;/m1../s1
InChIKeyZPZGOFZCFYTIQM-MBORUXJMSA-L
MW507.88 g/mol
LogP0.09
Rot. Bonds4

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

2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+) (PubChem CID 53348843) has the molecular formula C15H21ClN2O3Pt and a molecular weight of 507.88 g/mol. Its IUPAC name is 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+).

Molecular Properties

Compound Name2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+)
PubChem CID53348843
Molecular FormulaC15H21ClN2O3Pt
Molecular Weight507.88 g/mol
Exact Mass507.09
IUPAC Name2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+)
SMILESN[C@@H]1CCCC[C@H]1NCc1ccccc1[O-].O=C([O-])CCl.[Pt+2]
InChIInChI=1S/C13H20N2O.C2H3ClO2.Pt/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16;3-1-2(4)5;/h1,4-5,8,11-12,15-16H,2-3,6-7,9,14H2;1H2,(H,4,5);/q;;+2/p-2/t11-,12-;;/m1../s1
InChIKeyZPZGOFZCFYTIQM-MBORUXJMSA-L
XLogP0.09
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.88
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)
CID 53348953
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
CID 25192413
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-methylphenyl)acetamide
CID 93452351
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
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
2-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1,2-diamine
CID 115118101
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine
CID 124676095
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-chloroacetate;platinum(2+)?
The IUPAC name of 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+) (CID 53348843) is 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+).
What is the SMILES notation for 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+)?
The canonical SMILES for 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+) is N[C@@H]1CCCC[C@H]1NCc1ccccc1[O-].O=C([O-])CCl.[Pt+2].
What is the InChIKey of 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+)?
The InChIKey is ZPZGOFZCFYTIQM-MBORUXJMSA-L. The full InChI is InChI=1S/C13H20N2O.C2H3ClO2.Pt/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16;3-1-2(4)5;/h1,4-5,8,11-12,15-16H,2-3,6-7,9,14H2;1H2,(H,4,5);/q;;+2/p-2/t11-,12-;;/m1../s1.
What are the key properties of 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+)?
2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+) has a molecular weight of 507.88 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-chloroacetate;platinum(2+) is sourced from PubChem (CID 53348843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).