(cyclohexylamino) dihydrogen phosphate

C6H14NO4P — CID 154164438

IUPAC(cyclohexylamino) dihydrogen phosphate
SMILESO=P(O)(O)ONC1CCCCC1
InChIInChI=1S/C6H14NO4P/c8-12(9,10)11-7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H2,8,9,10)
InChIKeyFIRHUAZBWWGHDX-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.93
Rot. Bonds3

About (cyclohexylamino) dihydrogen phosphate

(cyclohexylamino) dihydrogen phosphate (PubChem CID 154164438) has the molecular formula C6H14NO4P and a molecular weight of 195.15 g/mol. Its IUPAC name is (cyclohexylamino) dihydrogen phosphate.

Molecular Properties

Compound Name(cyclohexylamino) dihydrogen phosphate
PubChem CID154164438
Molecular FormulaC6H14NO4P
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Name(cyclohexylamino) dihydrogen phosphate
SMILESO=P(O)(O)ONC1CCCCC1
InChIInChI=1S/C6H14NO4P/c8-12(9,10)11-7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H2,8,9,10)
InChIKeyFIRHUAZBWWGHDX-UHFFFAOYSA-N
XLogP0.93
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate
CID 88776206
2-(cyclohexylamino)oxy-2-oxoacetic acid
CID 174869598
N-methoxycyclohexanamine
CID 10975508
(cyclopentylamino) hydrogen carbonate
CID 150964345
sodium;(cyclohexylamino) acetate;hydride
CID 174740785
N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
CID 70264919
(cyclohexylamino)methyl-ethoxyphosphinic acid
CID 88509490
cyclohexyl(phosphonooxy)phosphinic acid;methane
CID 88826552
(cyclohexylamino) N-cyclohexylsulfamate
CID 87694019
N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine
CID 23412889
(cyclohexylmethylamino)phosphonic acid
CID 166772294
cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid
CID 87473548

Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino) dihydrogen phosphate?
The IUPAC name of (cyclohexylamino) dihydrogen phosphate (CID 154164438) is (cyclohexylamino) dihydrogen phosphate.
What is the SMILES notation for (cyclohexylamino) dihydrogen phosphate?
The canonical SMILES for (cyclohexylamino) dihydrogen phosphate is O=P(O)(O)ONC1CCCCC1.
What is the InChIKey of (cyclohexylamino) dihydrogen phosphate?
The InChIKey is FIRHUAZBWWGHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4P/c8-12(9,10)11-7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H2,8,9,10).
What are the key properties of (cyclohexylamino) dihydrogen phosphate?
(cyclohexylamino) dihydrogen phosphate has a molecular weight of 195.15 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino) dihydrogen phosphate is sourced from PubChem (CID 154164438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).