diethylamino-methyl-oxophosphanium

C5H13NOP+ — CID 23418668

IUPACdiethylamino-methyl-oxophosphanium
SMILESCCN(CC)[P+](C)=O
InChIInChI=1S/C5H13NOP/c1-4-6(5-2)8(3)7/h4-5H2,1-3H3/q+1
InChIKeyNZRWUSGHSRLSNY-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.70
Rot. Bonds3

About diethylamino-methyl-oxophosphanium

diethylamino-methyl-oxophosphanium (PubChem CID 23418668) has the molecular formula C5H13NOP+ and a molecular weight of 134.14 g/mol. Its IUPAC name is diethylamino-methyl-oxophosphanium.

Molecular Properties

Compound Namediethylamino-methyl-oxophosphanium
PubChem CID23418668
Molecular FormulaC5H13NOP+
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Namediethylamino-methyl-oxophosphanium
SMILESCCN(CC)[P+](C)=O
InChIInChI=1S/C5H13NOP/c1-4-6(5-2)8(3)7/h4-5H2,1-3H3/q+1
InChIKeyNZRWUSGHSRLSNY-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethylamino-methyl-oxophosphanium?
The IUPAC name of diethylamino-methyl-oxophosphanium (CID 23418668) is diethylamino-methyl-oxophosphanium.
What is the SMILES notation for diethylamino-methyl-oxophosphanium?
The canonical SMILES for diethylamino-methyl-oxophosphanium is CCN(CC)[P+](C)=O.
What is the InChIKey of diethylamino-methyl-oxophosphanium?
The InChIKey is NZRWUSGHSRLSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOP/c1-4-6(5-2)8(3)7/h4-5H2,1-3H3/q+1.
What are the key properties of diethylamino-methyl-oxophosphanium?
diethylamino-methyl-oxophosphanium has a molecular weight of 134.14 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino-methyl-oxophosphanium is sourced from PubChem (CID 23418668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).