N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride

C16H30Cl2NPd-3 — CID 175446279

IUPACN,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride
SMILESCN(C)c1cc[c-]cc1.C[C-](C)C.C[C-](C)C.Cl.Cl.[Pd]
InChIInChI=1S/C8H10N.2C4H9.2ClH.Pd/c1-9(2)8-6-4-3-5-7-8;2*1-4(2)3;;;/h4-7H,1-2H3;2*1-3H3;2*1H;/q3*-1;;;
InChIKeyRCAMBOLCCYLTSJ-UHFFFAOYSA-N
MW413.75 g/mol
LogP5.64
Rot. Bonds1

About N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride

N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride (PubChem CID 175446279) has the molecular formula C16H30Cl2NPd-3 and a molecular weight of 413.75 g/mol. Its IUPAC name is N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride
PubChem CID175446279
Molecular FormulaC16H30Cl2NPd-3
Molecular Weight413.75 g/mol
Exact Mass412.08
IUPAC NameN,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride
SMILESCN(C)c1cc[c-]cc1.C[C-](C)C.C[C-](C)C.Cl.Cl.[Pd]
InChIInChI=1S/C8H10N.2C4H9.2ClH.Pd/c1-9(2)8-6-4-3-5-7-8;2*1-4(2)3;;;/h4-7H,1-2H3;2*1-3H3;2*1H;/q3*-1;;;
InChIKeyRCAMBOLCCYLTSJ-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.75
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride?
The IUPAC name of N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride (CID 175446279) is N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride.
What is the SMILES notation for N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride?
The canonical SMILES for N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride is CN(C)c1cc[c-]cc1.C[C-](C)C.C[C-](C)C.Cl.Cl.[Pd].
What is the InChIKey of N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride?
The InChIKey is RCAMBOLCCYLTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.2C4H9.2ClH.Pd/c1-9(2)8-6-4-3-5-7-8;2*1-4(2)3;;;/h4-7H,1-2H3;2*1-3H3;2*1H;/q3*-1;;;.
What are the key properties of N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride?
N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride has a molecular weight of 413.75 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline;bis(2-methylpropane);palladium;dihydrochloride is sourced from PubChem (CID 175446279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).