(didodecylamino) dihydrogen phosphate

C24H52NO4P — CID 174994994

IUPAC(didodecylamino) dihydrogen phosphate
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)OP(=O)(O)O
InChIInChI=1S/C24H52NO4P/c1-3-5-7-9-11-13-15-17-19-21-23-25(29-30(26,27)28)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H2,26,27,28)
InChIKeyKWNHWOMZUSSXLG-UHFFFAOYSA-N
MW449.66 g/mol
LogP8.15
Rot. Bonds24

About (didodecylamino) dihydrogen phosphate

(didodecylamino) dihydrogen phosphate (PubChem CID 174994994) has the molecular formula C24H52NO4P and a molecular weight of 449.66 g/mol. Its IUPAC name is (didodecylamino) dihydrogen phosphate.

Molecular Properties

Compound Name(didodecylamino) dihydrogen phosphate
PubChem CID174994994
Molecular FormulaC24H52NO4P
Molecular Weight449.66 g/mol
Exact Mass449.36
IUPAC Name(didodecylamino) dihydrogen phosphate
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)OP(=O)(O)O
InChIInChI=1S/C24H52NO4P/c1-3-5-7-9-11-13-15-17-19-21-23-25(29-30(26,27)28)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H2,26,27,28)
InChIKeyKWNHWOMZUSSXLG-UHFFFAOYSA-N
XLogP8.15
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.66
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(dibutylamino) dihydrogen phosphate
CID 22117086
tetrakis(N,N-dioctyloctan-1-amine);phosphono dihydrogen phosphate
CID 173362239
decane;phosphono dihydrogen phosphate
CID 157375636
hexakis(decane);hydroxy dihydrogen phosphate
CID 173398841
dodecane;phosphoric acid
CID 88801558
12-(dihexadecylamino)dodecyl dihydrogen phosphate
CID 19435872
N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide
CID 174790998
[amino(tetradecanoyl)amino] dihydrogen phosphate
CID 57256058
disodium;dodecane;hydrogen phosphate;hydrate
CID 172768251
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103

Frequently Asked Questions

What is the IUPAC name of (didodecylamino) dihydrogen phosphate?
The IUPAC name of (didodecylamino) dihydrogen phosphate (CID 174994994) is (didodecylamino) dihydrogen phosphate.
What is the SMILES notation for (didodecylamino) dihydrogen phosphate?
The canonical SMILES for (didodecylamino) dihydrogen phosphate is CCCCCCCCCCCCN(CCCCCCCCCCCC)OP(=O)(O)O.
What is the InChIKey of (didodecylamino) dihydrogen phosphate?
The InChIKey is KWNHWOMZUSSXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52NO4P/c1-3-5-7-9-11-13-15-17-19-21-23-25(29-30(26,27)28)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H2,26,27,28).
What are the key properties of (didodecylamino) dihydrogen phosphate?
(didodecylamino) dihydrogen phosphate has a molecular weight of 449.66 g/mol, XLogP of 8.15, 24 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (didodecylamino) dihydrogen phosphate is sourced from PubChem (CID 174994994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).