1-methoxy-2-methylpropane;palladium;2-phenylethanamine

C13H22NOPd- — CID 89396703

IUPAC1-methoxy-2-methylpropane;palladium;2-phenylethanamine
SMILESCOCC(C)C.NCCc1[c-]cccc1.[Pd]
InChIInChI=1S/C8H10N.C5H12O.Pd/c9-7-6-8-4-2-1-3-5-8;1-5(2)4-6-3;/h1-4H,6-7,9H2;5H,4H2,1-3H3;/q-1;;
InChIKeyLBDZJRRKDHQZHD-UHFFFAOYSA-N
MW314.74 g/mol
LogP2.27
Rot. Bonds4

About 1-methoxy-2-methylpropane;palladium;2-phenylethanamine

1-methoxy-2-methylpropane;palladium;2-phenylethanamine (PubChem CID 89396703) has the molecular formula C13H22NOPd- and a molecular weight of 314.74 g/mol. Its IUPAC name is 1-methoxy-2-methylpropane;palladium;2-phenylethanamine.

Molecular Properties

Compound Name1-methoxy-2-methylpropane;palladium;2-phenylethanamine
PubChem CID89396703
Molecular FormulaC13H22NOPd-
Molecular Weight314.74 g/mol
Exact Mass314.07
IUPAC Name1-methoxy-2-methylpropane;palladium;2-phenylethanamine
SMILESCOCC(C)C.NCCc1[c-]cccc1.[Pd]
InChIInChI=1S/C8H10N.C5H12O.Pd/c9-7-6-8-4-2-1-3-5-8;1-5(2)4-6-3;/h1-4H,6-7,9H2;5H,4H2,1-3H3;/q-1;;
InChIKeyLBDZJRRKDHQZHD-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
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 1-methoxy-2-methylpropane;palladium;2-phenylethanamine?
The IUPAC name of 1-methoxy-2-methylpropane;palladium;2-phenylethanamine (CID 89396703) is 1-methoxy-2-methylpropane;palladium;2-phenylethanamine.
What is the SMILES notation for 1-methoxy-2-methylpropane;palladium;2-phenylethanamine?
The canonical SMILES for 1-methoxy-2-methylpropane;palladium;2-phenylethanamine is COCC(C)C.NCCc1[c-]cccc1.[Pd].
What is the InChIKey of 1-methoxy-2-methylpropane;palladium;2-phenylethanamine?
The InChIKey is LBDZJRRKDHQZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.C5H12O.Pd/c9-7-6-8-4-2-1-3-5-8;1-5(2)4-6-3;/h1-4H,6-7,9H2;5H,4H2,1-3H3;/q-1;;.
What are the key properties of 1-methoxy-2-methylpropane;palladium;2-phenylethanamine?
1-methoxy-2-methylpropane;palladium;2-phenylethanamine has a molecular weight of 314.74 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylpropane;palladium;2-phenylethanamine is sourced from PubChem (CID 89396703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).