azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride

C13H27Cl3N4O2Pt — CID 3073386

IUPACazane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccc(N)cc1.Cl.N.N.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C13H20N2O2.3ClH.2H3N.Pt/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;;;;;;/h5-8H,3-4,9-10,14H2,1-2H3;3*1H;2*1H3;/q;;;;;;+2/p-2
InChIKeyRVOJIQNDDSRDGS-UHFFFAOYSA-L
MW572.82 g/mol
LogP-3.48
Rot. Bonds6

About azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride

azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride (PubChem CID 3073386) has the molecular formula C13H27Cl3N4O2Pt and a molecular weight of 572.82 g/mol. Its IUPAC name is azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride.

Molecular Properties

Compound Nameazane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
PubChem CID3073386
Molecular FormulaC13H27Cl3N4O2Pt
Molecular Weight572.82 g/mol
Exact Mass571.08
IUPAC Nameazane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccc(N)cc1.Cl.N.N.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C13H20N2O2.3ClH.2H3N.Pt/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;;;;;;/h5-8H,3-4,9-10,14H2,1-2H3;3*1H;2*1H3;/q;;;;;;+2/p-2
InChIKeyRVOJIQNDDSRDGS-UHFFFAOYSA-L
XLogP-3.48
TPSA125.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.82
LogP ≤ 5-3.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride
CID 11756955
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
2-(diethylamino)ethyl 4-aminobenzoate tetrafluoroborate
CID 138319577
2-(diethylamino)ethyl 4-aminobenzoate azide
CID 20841990
2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride
CID 131884291
4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
CID 131875080
[4-[2-(diethylamino)ethoxycarbonyl]phenyl]azanium chloride
CID 43833393
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
2-(diethylamino)ethyl 4-aminobenzoate;2-hydroxybenzoic acid;urea
CID 70631894
2-(diethylamino)ethyl 4-[3-[4-[2-(diethylamino)ethoxycarbonyl]phenyl]propyl]benzoate
CID 24835252
2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;ethyl 4-aminobenzoate
CID 67420819
2-(diethylamino)ethyl 4-nitrobenzoate;hydrochloride
CID 12718038

Frequently Asked Questions

What is the IUPAC name of azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride?
The IUPAC name of azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride (CID 3073386) is azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride.
What is the SMILES notation for azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride?
The canonical SMILES for azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride is CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl.N.N.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride?
The InChIKey is RVOJIQNDDSRDGS-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H20N2O2.3ClH.2H3N.Pt/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;;;;;;/h5-8H,3-4,9-10,14H2,1-2H3;3*1H;2*1H3;/q;;;;;;+2/p-2.
What are the key properties of azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride?
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride has a molecular weight of 572.82 g/mol, XLogP of -3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride is sourced from PubChem (CID 3073386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).