(dibutylamino) dihydrogen phosphate

C8H20NO4P — CID 22117086

IUPAC(dibutylamino) dihydrogen phosphate
SMILESCCCCN(CCCC)OP(=O)(O)O
InChIInChI=1S/C8H20NO4P/c1-3-5-7-9(8-6-4-2)13-14(10,11)12/h3-8H2,1-2H3,(H2,10,11,12)
InChIKeyBXNZFIVMPZSTQF-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.91
Rot. Bonds8

About (dibutylamino) dihydrogen phosphate

(dibutylamino) dihydrogen phosphate (PubChem CID 22117086) has the molecular formula C8H20NO4P and a molecular weight of 225.22 g/mol. Its IUPAC name is (dibutylamino) dihydrogen phosphate.

Molecular Properties

Compound Name(dibutylamino) dihydrogen phosphate
PubChem CID22117086
Molecular FormulaC8H20NO4P
Molecular Weight225.22 g/mol
Exact Mass225.11
IUPAC Name(dibutylamino) dihydrogen phosphate
SMILESCCCCN(CCCC)OP(=O)(O)O
InChIInChI=1S/C8H20NO4P/c1-3-5-7-9(8-6-4-2)13-14(10,11)12/h3-8H2,1-2H3,(H2,10,11,12)
InChIKeyBXNZFIVMPZSTQF-UHFFFAOYSA-N
XLogP1.91
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
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

(didodecylamino) dihydrogen phosphate
CID 174994994
nonakis(N,N-dibutylbutan-1-amine);phosphoric acid
CID 173155970
bis(dibutylamino)phosphinic acid
CID 149434212
tris(N-butyl-N-fluorobutan-1-amine);phosphoric acid
CID 175403911
N,N-dibutylbutan-1-amine;difluorophosphinic acid
CID 130422664
hexakis(decane);hydroxy dihydrogen phosphate
CID 173398841
decane;phosphono dihydrogen phosphate
CID 157375636
tetrakis(N,N-dioctyloctan-1-amine);phosphono dihydrogen phosphate
CID 173362239
(2,2-dibutylhydrazinyl)phosphonic acid
CID 174760569
2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate
CID 58758794
butoxy-N,N-dibutylphosphonamidic acid
CID 18676696
(dibutylamino) propanoate
CID 154448533

Frequently Asked Questions

What is the IUPAC name of (dibutylamino) dihydrogen phosphate?
The IUPAC name of (dibutylamino) dihydrogen phosphate (CID 22117086) is (dibutylamino) dihydrogen phosphate.
What is the SMILES notation for (dibutylamino) dihydrogen phosphate?
The canonical SMILES for (dibutylamino) dihydrogen phosphate is CCCCN(CCCC)OP(=O)(O)O.
What is the InChIKey of (dibutylamino) dihydrogen phosphate?
The InChIKey is BXNZFIVMPZSTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO4P/c1-3-5-7-9(8-6-4-2)13-14(10,11)12/h3-8H2,1-2H3,(H2,10,11,12).
What are the key properties of (dibutylamino) dihydrogen phosphate?
(dibutylamino) dihydrogen phosphate has a molecular weight of 225.22 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dibutylamino) dihydrogen phosphate is sourced from PubChem (CID 22117086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).