N-diethylphosphoryl-N-ethylethanamine

C8H20NOP — CID 14289042

IUPACN-diethylphosphoryl-N-ethylethanamine
SMILESCCN(CC)P(=O)(CC)CC
InChIInChI=1S/C8H20NOP/c1-5-9(6-2)11(10,7-3)8-4/h5-8H2,1-4H3
InChIKeyOFVIHNDRBDHEAJ-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.65
Rot. Bonds5

About N-diethylphosphoryl-N-ethylethanamine

N-diethylphosphoryl-N-ethylethanamine (PubChem CID 14289042) has the molecular formula C8H20NOP and a molecular weight of 177.23 g/mol. Its IUPAC name is N-diethylphosphoryl-N-ethylethanamine.

Molecular Properties

Compound NameN-diethylphosphoryl-N-ethylethanamine
PubChem CID14289042
Molecular FormulaC8H20NOP
Molecular Weight177.23 g/mol
Exact Mass177.13
IUPAC NameN-diethylphosphoryl-N-ethylethanamine
SMILESCCN(CC)P(=O)(CC)CC
InChIInChI=1S/C8H20NOP/c1-5-9(6-2)11(10,7-3)8-4/h5-8H2,1-4H3
InChIKeyOFVIHNDRBDHEAJ-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.65
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 N-diethylphosphoryl-N-ethylethanamine?
The IUPAC name of N-diethylphosphoryl-N-ethylethanamine (CID 14289042) is N-diethylphosphoryl-N-ethylethanamine.
What is the SMILES notation for N-diethylphosphoryl-N-ethylethanamine?
The canonical SMILES for N-diethylphosphoryl-N-ethylethanamine is CCN(CC)P(=O)(CC)CC.
What is the InChIKey of N-diethylphosphoryl-N-ethylethanamine?
The InChIKey is OFVIHNDRBDHEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NOP/c1-5-9(6-2)11(10,7-3)8-4/h5-8H2,1-4H3.
What are the key properties of N-diethylphosphoryl-N-ethylethanamine?
N-diethylphosphoryl-N-ethylethanamine has a molecular weight of 177.23 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethylphosphoryl-N-ethylethanamine is sourced from PubChem (CID 14289042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).