cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)

C13H25N3O4Pt — CID 71481438

IUPACcyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)
SMILESCCNCCC(C(=O)[O-])C(=O)[O-].NC1CCCCC1N.[Pt+2]
InChIInChI=1S/C7H13NO4.C6H14N2.Pt/c1-2-8-4-3-5(6(9)10)7(11)12;7-5-3-1-2-4-6(5)8;/h5,8H,2-4H2,1H3,(H,9,10)(H,11,12);5-6H,1-4,7-8H2;/q;;+2/p-2
InChIKeyGBHUOZKHKLAOES-UHFFFAOYSA-L
MW482.44 g/mol
LogP-2.69
Rot. Bonds6

About cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)

cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+) (PubChem CID 71481438) has the molecular formula C13H25N3O4Pt and a molecular weight of 482.44 g/mol. Its IUPAC name is cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+).

Molecular Properties

Compound Namecyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)
PubChem CID71481438
Molecular FormulaC13H25N3O4Pt
Molecular Weight482.44 g/mol
Exact Mass482.15
IUPAC Namecyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)
SMILESCCNCCC(C(=O)[O-])C(=O)[O-].NC1CCCCC1N.[Pt+2]
InChIInChI=1S/C7H13NO4.C6H14N2.Pt/c1-2-8-4-3-5(6(9)10)7(11)12;7-5-3-1-2-4-6(5)8;/h5,8H,2-4H2,1H3,(H,9,10)(H,11,12);5-6H,1-4,7-8H2;/q;;+2/p-2
InChIKeyGBHUOZKHKLAOES-UHFFFAOYSA-L
XLogP-2.69
TPSA144.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.44
LogP ≤ 5-2.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2,3-dihydroxybutanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175900001
1-cyclopentyl-3-(ethylamino)propan-1-ol
CID 167001282
bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
CID 173119560
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749
bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))
CID 71481504
cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))
CID 161329805
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
CID 76683836
(2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 10369770
1-(2-aminocycloheptyl)-3-propylurea
CID 63258563
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
acetic acid;cyclohexane-1,2-diamine
CID 67321744
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)?
The IUPAC name of cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+) (CID 71481438) is cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+).
What is the SMILES notation for cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)?
The canonical SMILES for cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+) is CCNCCC(C(=O)[O-])C(=O)[O-].NC1CCCCC1N.[Pt+2].
What is the InChIKey of cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)?
The InChIKey is GBHUOZKHKLAOES-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H13NO4.C6H14N2.Pt/c1-2-8-4-3-5(6(9)10)7(11)12;7-5-3-1-2-4-6(5)8;/h5,8H,2-4H2,1H3,(H,9,10)(H,11,12);5-6H,1-4,7-8H2;/q;;+2/p-2.
What are the key properties of cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)?
cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+) has a molecular weight of 482.44 g/mol, XLogP of -2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+) is sourced from PubChem (CID 71481438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).