1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane

C6H17NO4P+ — CID 87721898

IUPAC1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane
SMILESCC(N)O[P+](=O)O.CCOCC
InChIInChI=1S/C4H10O.C2H6NO3P/c1-3-5-4-2;1-2(3)6-7(4)5/h3-4H2,1-2H3;2H,3H2,1H3/p+1
InChIKeyRGUKGWMTQZAENE-UHFFFAOYSA-O
MW198.18 g/mol
LogP1.00
Rot. Bonds4

About 1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane

1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane (PubChem CID 87721898) has the molecular formula C6H17NO4P+ and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane.

Molecular Properties

Compound Name1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane
PubChem CID87721898
Molecular FormulaC6H17NO4P+
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane
SMILESCC(N)O[P+](=O)O.CCOCC
InChIInChI=1S/C4H10O.C2H6NO3P/c1-3-5-4-2;1-2(3)6-7(4)5/h3-4H2,1-2H3;2H,3H2,1H3/p+1
InChIKeyRGUKGWMTQZAENE-UHFFFAOYSA-O
XLogP1.00
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

1-aminoethoxy-hydroxy-oxophosphanium;butane
CID 87487815
heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
CID 173371191
[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
CID 87190304
ethoxyethane;hydroxylamine
CID 135816400
ethoxyethane;oxophosphane
CID 18547249
(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium
CID 88801560
azane;ethoxyethane;hydroxylamine
CID 173273228
(2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane
CID 88656909
5-amino-1-ethoxyhexan-2-one
CID 116571563
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;guanidine
CID 87089241

Frequently Asked Questions

What is the IUPAC name of 1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane?
The IUPAC name of 1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane (CID 87721898) is 1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane.
What is the SMILES notation for 1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane?
The canonical SMILES for 1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane is CC(N)O[P+](=O)O.CCOCC.
What is the InChIKey of 1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane?
The InChIKey is RGUKGWMTQZAENE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10O.C2H6NO3P/c1-3-5-4-2;1-2(3)6-7(4)5/h3-4H2,1-2H3;2H,3H2,1H3/p+1.
What are the key properties of 1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane?
1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane has a molecular weight of 198.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane is sourced from PubChem (CID 87721898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).