ethylaminomethyl-methyl-oxophosphanium

C4H11NOP+ — CID 20772096

IUPACethylaminomethyl-methyl-oxophosphanium
SMILESCCNC[P+](C)=O
InChIInChI=1S/C4H11NOP/c1-3-5-4-7(2)6/h5H,3-4H2,1-2H3/q+1
InChIKeyOMIIZCDBAASUAJ-UHFFFAOYSA-N
MW120.11 g/mol
LogP1.01
Rot. Bonds3

About ethylaminomethyl-methyl-oxophosphanium

ethylaminomethyl-methyl-oxophosphanium (PubChem CID 20772096) has the molecular formula C4H11NOP+ and a molecular weight of 120.11 g/mol. Its IUPAC name is ethylaminomethyl-methyl-oxophosphanium.

Molecular Properties

Compound Nameethylaminomethyl-methyl-oxophosphanium
PubChem CID20772096
Molecular FormulaC4H11NOP+
Molecular Weight120.11 g/mol
Exact Mass120.06
IUPAC Nameethylaminomethyl-methyl-oxophosphanium
SMILESCCNC[P+](C)=O
InChIInChI=1S/C4H11NOP/c1-3-5-4-7(2)6/h5H,3-4H2,1-2H3/q+1
InChIKeyOMIIZCDBAASUAJ-UHFFFAOYSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylaminomethyl-methyl-oxophosphanium?
The IUPAC name of ethylaminomethyl-methyl-oxophosphanium (CID 20772096) is ethylaminomethyl-methyl-oxophosphanium.
What is the SMILES notation for ethylaminomethyl-methyl-oxophosphanium?
The canonical SMILES for ethylaminomethyl-methyl-oxophosphanium is CCNC[P+](C)=O.
What is the InChIKey of ethylaminomethyl-methyl-oxophosphanium?
The InChIKey is OMIIZCDBAASUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOP/c1-3-5-4-7(2)6/h5H,3-4H2,1-2H3/q+1.
What are the key properties of ethylaminomethyl-methyl-oxophosphanium?
ethylaminomethyl-methyl-oxophosphanium has a molecular weight of 120.11 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminomethyl-methyl-oxophosphanium is sourced from PubChem (CID 20772096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).