1-diethoxyphosphorylethanamine

C6H16NO3P — CID 5149858

IUPAC1-diethoxyphosphorylethanamine
SMILESCCOP(=O)(OCC)C(C)N
InChIInChI=1S/C6H16NO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5,7H2,1-3H3
InChIKeySQAAQHWGIOAIST-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.56
Rot. Bonds5

About 1-diethoxyphosphorylethanamine

1-diethoxyphosphorylethanamine (PubChem CID 5149858) has the molecular formula C6H16NO3P and a molecular weight of 181.17 g/mol. Its IUPAC name is 1-diethoxyphosphorylethanamine.

Molecular Properties

Compound Name1-diethoxyphosphorylethanamine
PubChem CID5149858
Molecular FormulaC6H16NO3P
Molecular Weight181.17 g/mol
Exact Mass181.09
IUPAC Name1-diethoxyphosphorylethanamine
SMILESCCOP(=O)(OCC)C(C)N
InChIInChI=1S/C6H16NO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5,7H2,1-3H3
InChIKeySQAAQHWGIOAIST-UHFFFAOYSA-N
XLogP1.56
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphorylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride
CID 22415619
2-diethoxyphosphorylbutane
CID 2733649
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
1-aminoethyl(ethoxy)phosphinic acid;hydrochloride
CID 88714482
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
1-diethoxyphosphoryl-3-methylbutan-1-amine;oxalic acid
CID 12635018
3-diethoxyphosphorylbut-1-ene
CID 13357671
ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
CID 23420452
tert-butyl 2-amino-2-diethoxyphosphorylacetate
CID 10945397
(1R)-1-diethoxyphosphoryl-3-methylsulfanylpropan-1-amine
CID 12524631

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphorylethanamine?
The IUPAC name of 1-diethoxyphosphorylethanamine (CID 5149858) is 1-diethoxyphosphorylethanamine.
What is the SMILES notation for 1-diethoxyphosphorylethanamine?
The canonical SMILES for 1-diethoxyphosphorylethanamine is CCOP(=O)(OCC)C(C)N.
What is the InChIKey of 1-diethoxyphosphorylethanamine?
The InChIKey is SQAAQHWGIOAIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-diethoxyphosphorylethanamine?
1-diethoxyphosphorylethanamine has a molecular weight of 181.17 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylethanamine is sourced from PubChem (CID 5149858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).