dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine

C12H20Cl2N2O4Pt — CID 71498793

IUPACdichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine
SMILESCl[Pt+2]Cl.N[C@H]1CCCC12CCC[C@@H]2N.O=C([O-])CC(=O)[O-]
InChIInChI=1S/C9H18N2.C3H4O4.2ClH.Pt/c10-7-3-1-5-9(7)6-2-4-8(9)11;4-2(5)1-3(6)7;;;/h7-8H,1-6,10-11H2;1H2,(H,4,5)(H,6,7);2*1H;/q;;;;+4/p-4/t7-,8-,9?;;;;/m0..../s1
InChIKeyILKBTRZQXOLTOE-SVCWMKRVSA-J
MW522.29 g/mol
LogP-0.75
Rot. Bonds2

About dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine

dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine (PubChem CID 71498793) has the molecular formula C12H20Cl2N2O4Pt and a molecular weight of 522.29 g/mol. Its IUPAC name is dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine.

Molecular Properties

Compound Namedichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine
PubChem CID71498793
Molecular FormulaC12H20Cl2N2O4Pt
Molecular Weight522.29 g/mol
Exact Mass521.04
IUPAC Namedichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine
SMILESCl[Pt+2]Cl.N[C@H]1CCCC12CCC[C@@H]2N.O=C([O-])CC(=O)[O-]
InChIInChI=1S/C9H18N2.C3H4O4.2ClH.Pt/c10-7-3-1-5-9(7)6-2-4-8(9)11;4-2(5)1-3(6)7;;;/h7-8H,1-6,10-11H2;1H2,(H,4,5)(H,6,7);2*1H;/q;;;;+4/p-4/t7-,8-,9?;;;;/m0..../s1
InChIKeyILKBTRZQXOLTOE-SVCWMKRVSA-J
XLogP-0.75
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4R)-spiro[4.4]nonane-4,9-diamine
CID 67207240
(4R,9R)-spiro[4.4]nonane-4,9-diamine
CID 45098389
N-(9-aminospiro[4.4]nonan-4-yl)acetamide
CID 121370272
2-amino-N-(3-ethylpentan-3-yl)-1-methylcyclopentane-1-carboxamide
CID 82767363
2-methylspiro[2.4]heptan-7-amine
CID 146817135
2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1-methylcyclopentane-1-carboxamide
CID 82768610
(2S)-2-aminocyclopentane-1,1-dicarboxylic acid
CID 67575555
1-(2-amino-1-methylcyclopentyl)octan-1-one
CID 116607169
(2-amino-1-methylcyclopentyl)carbamic acid
CID 118024933
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
1-(2-amino-1-hydroxycyclopentyl)ethanone
CID 67891838
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine?
The IUPAC name of dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine (CID 71498793) is dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine.
What is the SMILES notation for dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine?
The canonical SMILES for dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine is Cl[Pt+2]Cl.N[C@H]1CCCC12CCC[C@@H]2N.O=C([O-])CC(=O)[O-].
What is the InChIKey of dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine?
The InChIKey is ILKBTRZQXOLTOE-SVCWMKRVSA-J. The full InChI is InChI=1S/C9H18N2.C3H4O4.2ClH.Pt/c10-7-3-1-5-9(7)6-2-4-8(9)11;4-2(5)1-3(6)7;;;/h7-8H,1-6,10-11H2;1H2,(H,4,5)(H,6,7);2*1H;/q;;;;+4/p-4/t7-,8-,9?;;;;/m0..../s1.
What are the key properties of dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine?
dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine has a molecular weight of 522.29 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum(2+);propanedioate;(4S,9S)-spiro[4.4]nonane-4,9-diamine is sourced from PubChem (CID 71498793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).