acetic acid;adamantan-1-amine;azane;platinum;dichloride

C14H28Cl2N2O4Pt-2 — CID 162064090

IUPACacetic acid;adamantan-1-amine;azane;platinum;dichloride
SMILESCC(=O)O.CC(=O)O.N.NC12CC3CC(CC(C3)C1)C2.[Cl-].[Cl-].[Pt]
InChIInChI=1S/C10H17N.2C2H4O2.2ClH.H3N.Pt/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-2(3)4;;;;/h7-9H,1-6,11H2;2*1H3,(H,3,4);2*1H;1H3;/p-2
InChIKeyCDAOZNDDCGZAAB-UHFFFAOYSA-L
MW554.37 g/mol
LogP-3.74
Rot. Bonds

About acetic acid;adamantan-1-amine;azane;platinum;dichloride

acetic acid;adamantan-1-amine;azane;platinum;dichloride (PubChem CID 162064090) has the molecular formula C14H28Cl2N2O4Pt-2 and a molecular weight of 554.37 g/mol. Its IUPAC name is acetic acid;adamantan-1-amine;azane;platinum;dichloride.

Molecular Properties

Compound Nameacetic acid;adamantan-1-amine;azane;platinum;dichloride
PubChem CID162064090
Molecular FormulaC14H28Cl2N2O4Pt-2
Molecular Weight554.37 g/mol
Exact Mass553.11
IUPAC Nameacetic acid;adamantan-1-amine;azane;platinum;dichloride
SMILESCC(=O)O.CC(=O)O.N.NC12CC3CC(CC(C3)C1)C2.[Cl-].[Cl-].[Pt]
InChIInChI=1S/C10H17N.2C2H4O2.2ClH.H3N.Pt/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-2(3)4;;;;/h7-9H,1-6,11H2;2*1H3,(H,3,4);2*1H;1H3;/p-2
InChIKeyCDAOZNDDCGZAAB-UHFFFAOYSA-L
XLogP-3.74
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.37
LogP ≤ 5-3.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Adamplatin-IV
CID 10007773
Adamantane-1-ammonium acetate
CID 139081335
1-Adamantylhydrazine;dichloroplatinum(2+);diacetate
CID 9959239
Adamantan-1-amine;azane;dichloroplatinum(2+);diacetate
CID 11628194
Acetic acid;adamantan-1-amine
CID 12682111
Acetic acid;3,5-dimethyladamantan-1-amine
CID 25168301
3,5-Dimethyladamantan-1-amine;propanoic acid
CID 25168431
Acetic acid;1-adamantylhydrazine;trichloroplatinum
CID 87438850
Adamantan-1-amine;carbamic acid;dihydrate;hydrochloride
CID 159203216
Adamantan-1-amine;propanoic acid
CID 162142210
Acetic acid;3,5-dimethyladamantan-1-amine
CID 172831686
Acetic acid;1-adamantylhydrazine;dichloroplatinum
CID 173129507

Frequently Asked Questions

What is the IUPAC name of acetic acid;adamantan-1-amine;azane;platinum;dichloride?
The IUPAC name of acetic acid;adamantan-1-amine;azane;platinum;dichloride (CID 162064090) is acetic acid;adamantan-1-amine;azane;platinum;dichloride.
What is the SMILES notation for acetic acid;adamantan-1-amine;azane;platinum;dichloride?
The canonical SMILES for acetic acid;adamantan-1-amine;azane;platinum;dichloride is CC(=O)O.CC(=O)O.N.NC12CC3CC(CC(C3)C1)C2.[Cl-].[Cl-].[Pt].
What is the InChIKey of acetic acid;adamantan-1-amine;azane;platinum;dichloride?
The InChIKey is CDAOZNDDCGZAAB-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H17N.2C2H4O2.2ClH.H3N.Pt/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-2(3)4;;;;/h7-9H,1-6,11H2;2*1H3,(H,3,4);2*1H;1H3;/p-2.
What are the key properties of acetic acid;adamantan-1-amine;azane;platinum;dichloride?
acetic acid;adamantan-1-amine;azane;platinum;dichloride has a molecular weight of 554.37 g/mol, XLogP of -3.74, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;adamantan-1-amine;azane;platinum;dichloride is sourced from PubChem (CID 162064090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).