bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride

C18H24Cl2N2Pd2 — CID 53384345

IUPACbis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride
SMILESCN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.[Cl-].[Cl-].[Pd+2].[Pd+2]
InChIInChI=1S/2C9H12N.2ClH.2Pd/c2*1-10(2)8-9-6-4-3-5-7-9;;;;/h2*3-6H,8H2,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyRYOPVFUGUFDYKP-UHFFFAOYSA-L
MW552.15 g/mol
LogP-2.90
Rot. Bonds4

About bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride

bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride (PubChem CID 53384345) has the molecular formula C18H24Cl2N2Pd2 and a molecular weight of 552.15 g/mol. Its IUPAC name is bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride.

Molecular Properties

Compound Namebis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride
PubChem CID53384345
Molecular FormulaC18H24Cl2N2Pd2
Molecular Weight552.15 g/mol
Exact Mass549.94
IUPAC Namebis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride
SMILESCN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.[Cl-].[Cl-].[Pd+2].[Pd+2]
InChIInChI=1S/2C9H12N.2ClH.2Pd/c2*1-10(2)8-9-6-4-3-5-7-9;;;;/h2*3-6H,8H2,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyRYOPVFUGUFDYKP-UHFFFAOYSA-L
XLogP-2.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.15
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride?
The IUPAC name of bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride (CID 53384345) is bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride.
What is the SMILES notation for bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride?
The canonical SMILES for bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride is CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.[Cl-].[Cl-].[Pd+2].[Pd+2].
What is the InChIKey of bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride?
The InChIKey is RYOPVFUGUFDYKP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H12N.2ClH.2Pd/c2*1-10(2)8-9-6-4-3-5-7-9;;;;/h2*3-6H,8H2,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride?
bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride has a molecular weight of 552.15 g/mol, XLogP of -2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyl-1-phenylmethanamine);bis(palladium(2+));dichloride is sourced from PubChem (CID 53384345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).