2-[ethyl(methyl)phosphoryl]ethanamine

C5H14NOP — CID 18442486

IUPAC2-[ethyl(methyl)phosphoryl]ethanamine
SMILESCCP(C)(=O)CCN
InChIInChI=1S/C5H14NOP/c1-3-8(2,7)5-4-6/h3-6H2,1-2H3
InChIKeyWNDPILKZZNHCJX-UHFFFAOYSA-N
MW135.15 g/mol
LogP0.96
Rot. Bonds3

About 2-[ethyl(methyl)phosphoryl]ethanamine

2-[ethyl(methyl)phosphoryl]ethanamine (PubChem CID 18442486) has the molecular formula C5H14NOP and a molecular weight of 135.15 g/mol. Its IUPAC name is 2-[ethyl(methyl)phosphoryl]ethanamine.

Molecular Properties

Compound Name2-[ethyl(methyl)phosphoryl]ethanamine
PubChem CID18442486
Molecular FormulaC5H14NOP
Molecular Weight135.15 g/mol
Exact Mass135.08
IUPAC Name2-[ethyl(methyl)phosphoryl]ethanamine
SMILESCCP(C)(=O)CCN
InChIInChI=1S/C5H14NOP/c1-3-8(2,7)5-4-6/h3-6H2,1-2H3
InChIKeyWNDPILKZZNHCJX-UHFFFAOYSA-N
XLogP0.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 50.96
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 2-[ethyl(methyl)phosphoryl]ethanamine?
The IUPAC name of 2-[ethyl(methyl)phosphoryl]ethanamine (CID 18442486) is 2-[ethyl(methyl)phosphoryl]ethanamine.
What is the SMILES notation for 2-[ethyl(methyl)phosphoryl]ethanamine?
The canonical SMILES for 2-[ethyl(methyl)phosphoryl]ethanamine is CCP(C)(=O)CCN.
What is the InChIKey of 2-[ethyl(methyl)phosphoryl]ethanamine?
The InChIKey is WNDPILKZZNHCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NOP/c1-3-8(2,7)5-4-6/h3-6H2,1-2H3.
What are the key properties of 2-[ethyl(methyl)phosphoryl]ethanamine?
2-[ethyl(methyl)phosphoryl]ethanamine has a molecular weight of 135.15 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)phosphoryl]ethanamine is sourced from PubChem (CID 18442486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).