N-ethyl-N-(phosphanyloxymethyl)ethanamine

C5H14NOP — CID 57246595

IUPACN-ethyl-N-(phosphanyloxymethyl)ethanamine
SMILESCCN(CC)COP
InChIInChI=1S/C5H14NOP/c1-3-6(4-2)5-7-8/h3-5,8H2,1-2H3
InChIKeyXZKQWZXFANKLFH-UHFFFAOYSA-N
MW135.15 g/mol
LogP1.09
Rot. Bonds4

About N-ethyl-N-(phosphanyloxymethyl)ethanamine

N-ethyl-N-(phosphanyloxymethyl)ethanamine (PubChem CID 57246595) has the molecular formula C5H14NOP and a molecular weight of 135.15 g/mol. Its IUPAC name is N-ethyl-N-(phosphanyloxymethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(phosphanyloxymethyl)ethanamine
PubChem CID57246595
Molecular FormulaC5H14NOP
Molecular Weight135.15 g/mol
Exact Mass135.08
IUPAC NameN-ethyl-N-(phosphanyloxymethyl)ethanamine
SMILESCCN(CC)COP
InChIInChI=1S/C5H14NOP/c1-3-6(4-2)5-7-8/h3-5,8H2,1-2H3
InChIKeyXZKQWZXFANKLFH-UHFFFAOYSA-N
XLogP1.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(phosphanyloxymethyl)ethanamine?
The IUPAC name of N-ethyl-N-(phosphanyloxymethyl)ethanamine (CID 57246595) is N-ethyl-N-(phosphanyloxymethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(phosphanyloxymethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(phosphanyloxymethyl)ethanamine is CCN(CC)COP.
What is the InChIKey of N-ethyl-N-(phosphanyloxymethyl)ethanamine?
The InChIKey is XZKQWZXFANKLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NOP/c1-3-6(4-2)5-7-8/h3-5,8H2,1-2H3.
What are the key properties of N-ethyl-N-(phosphanyloxymethyl)ethanamine?
N-ethyl-N-(phosphanyloxymethyl)ethanamine has a molecular weight of 135.15 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(phosphanyloxymethyl)ethanamine is sourced from PubChem (CID 57246595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).