1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride

C6H18ClN2O2P — CID 22415619

IUPAC1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride
SMILESCCOP(=O)(C(C)N)C(C)N.Cl
InChIInChI=1S/C6H17N2O2P.ClH/c1-4-10-11(9,5(2)7)6(3)8;/h5-6H,4,7-8H2,1-3H3;1H
InChIKeyAOYWIUAEABKAKJ-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.33
Rot. Bonds4

About 1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride

1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride (PubChem CID 22415619) has the molecular formula C6H18ClN2O2P and a molecular weight of 216.65 g/mol. Its IUPAC name is 1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride
PubChem CID22415619
Molecular FormulaC6H18ClN2O2P
Molecular Weight216.65 g/mol
Exact Mass216.08
IUPAC Name1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride
SMILESCCOP(=O)(C(C)N)C(C)N.Cl
InChIInChI=1S/C6H17N2O2P.ClH/c1-4-10-11(9,5(2)7)6(3)8;/h5-6H,4,7-8H2,1-3H3;1H
InChIKeyAOYWIUAEABKAKJ-UHFFFAOYSA-N
XLogP1.33
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphorylethanamine
CID 5149858
1-aminoethyl(ethoxy)phosphinic acid;hydrochloride
CID 88714482
1-[diethoxymethyl(ethoxy)phosphoryl]-3-methylbutan-1-amine
CID 102433122
diaminophosphoryloxyethane
CID 12620494
[amino(hydroxy)methyl]-ethoxyphosphinic acid
CID 174477551
2-methylpropanamide;triethyl phosphate
CID 155316510
2-diethoxyphosphorylbutane
CID 2733649
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
triethyl phosphate;bis(trimethylsilane)
CID 175760856
2-amino-4,4-bis(diethoxyphosphoryl)butanamide
CID 134929357
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435

Frequently Asked Questions

What is the IUPAC name of 1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride (CID 22415619) is 1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride is CCOP(=O)(C(C)N)C(C)N.Cl.
What is the InChIKey of 1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride?
The InChIKey is AOYWIUAEABKAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O2P.ClH/c1-4-10-11(9,5(2)7)6(3)8;/h5-6H,4,7-8H2,1-3H3;1H.
What are the key properties of 1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride?
1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride has a molecular weight of 216.65 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride is sourced from PubChem (CID 22415619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).