cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid

C13H28NO5P — CID 173185881

IUPACcyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid
SMILESCP(=O)(O)OC1CCC(O)(O)CC1.NC1CCCCC1
InChIInChI=1S/C7H15O5P.C6H13N/c1-13(10,11)12-6-2-4-7(8,9)5-3-6;7-6-4-2-1-3-5-6/h6,8-9H,2-5H2,1H3,(H,10,11);6H,1-5,7H2
InChIKeyUSKKVXXMUFLBRK-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.72
Rot. Bonds2

About cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid

cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid (PubChem CID 173185881) has the molecular formula C13H28NO5P and a molecular weight of 309.34 g/mol. Its IUPAC name is cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid.

Molecular Properties

Compound Namecyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid
PubChem CID173185881
Molecular FormulaC13H28NO5P
Molecular Weight309.34 g/mol
Exact Mass309.17
IUPAC Namecyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid
SMILESCP(=O)(O)OC1CCC(O)(O)CC1.NC1CCCCC1
InChIInChI=1S/C7H15O5P.C6H13N/c1-13(10,11)12-6-2-4-7(8,9)5-3-6;7-6-4-2-1-3-5-6/h6,8-9H,2-5H2,1H3,(H,10,11);6H,1-5,7H2
InChIKeyUSKKVXXMUFLBRK-UHFFFAOYSA-N
XLogP1.72
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

4-[(4,4-dihydroxycyclohexyl)oxy-methylphosphoryl]oxycyclohexane-1,1-diol
CID 87894390
bis(cyclohexanamine);ethane;(2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate
CID 78069846
(4-fluorocyclohexyl)oxy-methylphosphinic acid
CID 175013206
(3-fluorocyclohexyl)oxy-methylphosphinic acid
CID 175015498
cyclopentyloxy(ethenyl)phosphinic acid
CID 118440970
bis(cycloheptanamine);platinum(2+);dichloride
CID 3038593
cyclopentanamine;platinum(2+)
CID 21144800
[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
CID 158223204
CID 158223204
methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid
CID 58030070
[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate
CID 91239957
5-iodo-5-methylcyclodecan-1-amine
CID 166972339

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid?
The IUPAC name of cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid (CID 173185881) is cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid.
What is the SMILES notation for cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid?
The canonical SMILES for cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid is CP(=O)(O)OC1CCC(O)(O)CC1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid?
The InChIKey is USKKVXXMUFLBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P.C6H13N/c1-13(10,11)12-6-2-4-7(8,9)5-3-6;7-6-4-2-1-3-5-6/h6,8-9H,2-5H2,1H3,(H,10,11);6H,1-5,7H2.
What are the key properties of cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid?
cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid has a molecular weight of 309.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid is sourced from PubChem (CID 173185881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).