ethyl-hydroxy-methyl-phosphanylazanium

C3H11NOP+ — CID 174821484

IUPACethyl-hydroxy-methyl-phosphanylazanium
SMILESCC[N+](C)(O)P
InChIInChI=1S/C3H11NOP/c1-3-4(2,5)6/h5H,3,6H2,1-2H3/q+1
InChIKeyDOSZQHXTYYPTAL-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.63
Rot. Bonds1

About ethyl-hydroxy-methyl-phosphanylazanium

ethyl-hydroxy-methyl-phosphanylazanium (PubChem CID 174821484) has the molecular formula C3H11NOP+ and a molecular weight of 108.10 g/mol. Its IUPAC name is ethyl-hydroxy-methyl-phosphanylazanium.

Molecular Properties

Compound Nameethyl-hydroxy-methyl-phosphanylazanium
PubChem CID174821484
Molecular FormulaC3H11NOP+
Molecular Weight108.10 g/mol
Exact Mass108.06
IUPAC Nameethyl-hydroxy-methyl-phosphanylazanium
SMILESCC[N+](C)(O)P
InChIInChI=1S/C3H11NOP/c1-3-4(2,5)6/h5H,3,6H2,1-2H3/q+1
InChIKeyDOSZQHXTYYPTAL-UHFFFAOYSA-N
XLogP0.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diethyl(dihydroxy)azanium
CID 22153363
perchloric acid;triethyl(methyl)azanium
CID 87764447
ethyl(trimethyl)azanium;dihydrate
CID 174491612
CID 59112422
CID 59112422
diethyl-methanidyl-methylazanium
CID 123448649
phosphinous acid;tris(tetramethylazanium)
CID 173308937
N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)
CID 87355408
amino(trimethyl)azanium;ethyl(trimethyl)azanium
CID 173458972
CID 159681930
CID 159681930
diethyl(dimethyl)azanium;bromide;hydrate
CID 174914404
N,N-dimethylethanamine oxide;hydrochloride
CID 42639630
methanol;tetraethylazanium;hydroxide
CID 159654840

Frequently Asked Questions

What is the IUPAC name of ethyl-hydroxy-methyl-phosphanylazanium?
The IUPAC name of ethyl-hydroxy-methyl-phosphanylazanium (CID 174821484) is ethyl-hydroxy-methyl-phosphanylazanium.
What is the SMILES notation for ethyl-hydroxy-methyl-phosphanylazanium?
The canonical SMILES for ethyl-hydroxy-methyl-phosphanylazanium is CC[N+](C)(O)P.
What is the InChIKey of ethyl-hydroxy-methyl-phosphanylazanium?
The InChIKey is DOSZQHXTYYPTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NOP/c1-3-4(2,5)6/h5H,3,6H2,1-2H3/q+1.
What are the key properties of ethyl-hydroxy-methyl-phosphanylazanium?
ethyl-hydroxy-methyl-phosphanylazanium has a molecular weight of 108.10 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hydroxy-methyl-phosphanylazanium is sourced from PubChem (CID 174821484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).