bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine)

C20H28Cl2N2Pd2 — CID 11050133

IUPACbis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine)
SMILESC[C@H](c1[c-]cccc1)N(C)C.C[C@H](c1[c-]cccc1)N(C)C.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C10H14N.2ClH.2Pd/c2*1-9(11(2)3)10-7-5-4-6-8-10;;;;/h2*4-7,9H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2/t2*9-;;;;/m11..../s1
InChIKeyDZKYAJWEYYFYKO-LTITYVEBSA-L
MW580.20 g/mol
LogP5.59
Rot. Bonds4

About bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine)

bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine) (PubChem CID 11050133) has the molecular formula C20H28Cl2N2Pd2 and a molecular weight of 580.20 g/mol. Its IUPAC name is bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine).

Molecular Properties

Compound Namebis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine)
PubChem CID11050133
Molecular FormulaC20H28Cl2N2Pd2
Molecular Weight580.20 g/mol
Exact Mass577.97
IUPAC Namebis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine)
SMILESC[C@H](c1[c-]cccc1)N(C)C.C[C@H](c1[c-]cccc1)N(C)C.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C10H14N.2ClH.2Pd/c2*1-9(11(2)3)10-7-5-4-6-8-10;;;;/h2*4-7,9H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2/t2*9-;;;;/m11..../s1
InChIKeyDZKYAJWEYYFYKO-LTITYVEBSA-L
XLogP5.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.20
LogP ≤ 55.59
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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Related Compounds

chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine
CID 11092864
Di-mu-chlorobis[2-[(dimethylamino)methyl]phenyl-C,N]dipalladium(II)
CID 53384345
DI-Micro-chlorobis[2-[(dimethylamino)methyl]phenyl-C,N]dipalladium
CID 54708725
chloropalladium(1+);N,N-dimethyl-1-phenyl-methanamine
CID 76030761
4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
CID 69078269
carbanide;bis(N,N-dimethyl-1-phenylmethanamine);manganese(3+)
CID 10893114
dimagnesium;2-methyl-N,N-bis(phenylmethyl)propan-2-amine;dichloride
CID 138967929
magnesium bis(N,N-dimethyl-1-phenylmethanamine)
CID 15763637
bis(N,N-dimethyl-1-phenylmethanamine);molybdenum(2+)
CID 21399647
chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine)
CID 21399664
4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 23391992
6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine
CID 67879855

Frequently Asked Questions

What is the IUPAC name of bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine)?
The IUPAC name of bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine) (CID 11050133) is bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine).
What is the SMILES notation for bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine)?
The canonical SMILES for bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine) is C[C@H](c1[c-]cccc1)N(C)C.C[C@H](c1[c-]cccc1)N(C)C.Cl[Pd+].Cl[Pd+].
What is the InChIKey of bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine)?
The InChIKey is DZKYAJWEYYFYKO-LTITYVEBSA-L. The full InChI is InChI=1S/2C10H14N.2ClH.2Pd/c2*1-9(11(2)3)10-7-5-4-6-8-10;;;;/h2*4-7,9H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2/t2*9-;;;;/m11..../s1.
What are the key properties of bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine)?
bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine) has a molecular weight of 580.20 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chloropalladium(1+));bis((1R)-N,N-dimethyl-1-phenylethanamine) is sourced from PubChem (CID 11050133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).