[dibutoxyphosphoryl(hydroxymethyl)amino]methanol

C10H24NO5P — CID 20528591

IUPAC[dibutoxyphosphoryl(hydroxymethyl)amino]methanol
SMILESCCCCOP(=O)(OCCCC)N(CO)CO
InChIInChI=1S/C10H24NO5P/c1-3-5-7-15-17(14,11(9-12)10-13)16-8-6-4-2/h12-13H,3-10H2,1-2H3
InChIKeyDSRHJNOPGYLMQX-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.93
Rot. Bonds11

About [dibutoxyphosphoryl(hydroxymethyl)amino]methanol

[dibutoxyphosphoryl(hydroxymethyl)amino]methanol (PubChem CID 20528591) has the molecular formula C10H24NO5P and a molecular weight of 269.28 g/mol. Its IUPAC name is [dibutoxyphosphoryl(hydroxymethyl)amino]methanol.

Molecular Properties

Compound Name[dibutoxyphosphoryl(hydroxymethyl)amino]methanol
PubChem CID20528591
Molecular FormulaC10H24NO5P
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Name[dibutoxyphosphoryl(hydroxymethyl)amino]methanol
SMILESCCCCOP(=O)(OCCCC)N(CO)CO
InChIInChI=1S/C10H24NO5P/c1-3-5-7-15-17(14,11(9-12)10-13)16-8-6-4-2/h12-13H,3-10H2,1-2H3
InChIKeyDSRHJNOPGYLMQX-UHFFFAOYSA-N
XLogP1.93
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dibutyl hydrogen phosphate
CID 158586372
butoxy-N,N-dibutylphosphonamidic acid
CID 18676696
azane;butyl dihydrogen phosphate
CID 173333807
terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
butoxy(ethyl)phosphinic acid
CID 71353007
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
1-[butoxy((114C)methyl)(14C)phosphoryl]oxybutane
CID 12777600
propane-1,2,3-triol;tributyl phosphate
CID 162064877
dibutoxyphosphorylmethanediol
CID 87672065

Frequently Asked Questions

What is the IUPAC name of [dibutoxyphosphoryl(hydroxymethyl)amino]methanol?
The IUPAC name of [dibutoxyphosphoryl(hydroxymethyl)amino]methanol (CID 20528591) is [dibutoxyphosphoryl(hydroxymethyl)amino]methanol.
What is the SMILES notation for [dibutoxyphosphoryl(hydroxymethyl)amino]methanol?
The canonical SMILES for [dibutoxyphosphoryl(hydroxymethyl)amino]methanol is CCCCOP(=O)(OCCCC)N(CO)CO.
What is the InChIKey of [dibutoxyphosphoryl(hydroxymethyl)amino]methanol?
The InChIKey is DSRHJNOPGYLMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO5P/c1-3-5-7-15-17(14,11(9-12)10-13)16-8-6-4-2/h12-13H,3-10H2,1-2H3.
What are the key properties of [dibutoxyphosphoryl(hydroxymethyl)amino]methanol?
[dibutoxyphosphoryl(hydroxymethyl)amino]methanol has a molecular weight of 269.28 g/mol, XLogP of 1.93, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutoxyphosphoryl(hydroxymethyl)amino]methanol is sourced from PubChem (CID 20528591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).