2-(pentylamino)ethyl dihydrogen phosphate

C7H18NO4P — CID 87921283

IUPAC2-(pentylamino)ethyl dihydrogen phosphate
SMILESCCCCCNCCOP(=O)(O)O
InChIInChI=1S/C7H18NO4P/c1-2-3-4-5-8-6-7-12-13(9,10)11/h8H,2-7H2,1H3,(H2,9,10,11)
InChIKeyRPMRTZUTOURTNP-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.88
Rot. Bonds8

About 2-(pentylamino)ethyl dihydrogen phosphate

2-(pentylamino)ethyl dihydrogen phosphate (PubChem CID 87921283) has the molecular formula C7H18NO4P and a molecular weight of 211.20 g/mol. Its IUPAC name is 2-(pentylamino)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(pentylamino)ethyl dihydrogen phosphate
PubChem CID87921283
Molecular FormulaC7H18NO4P
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC Name2-(pentylamino)ethyl dihydrogen phosphate
SMILESCCCCCNCCOP(=O)(O)O
InChIInChI=1S/C7H18NO4P/c1-2-3-4-5-8-6-7-12-13(9,10)11/h8H,2-7H2,1H3,(H2,9,10,11)
InChIKeyRPMRTZUTOURTNP-UHFFFAOYSA-N
XLogP0.88
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(3-hexadecylsulfanylpropylamino)heptyl dihydrogen phosphate
CID 141312091
N-octylheptadecan-1-amine;phosphoric acid
CID 174994619
2-(3-aminopropylamino)ethyl dihydrogen phosphate
CID 54046186
2-[2-(hexadecylamino)ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 13282780
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
N'-[(Z)-octadec-9-enyl]propane-1,3-diamine;tridecyl dihydrogen phosphate
CID 88777147
hexyl dihydrogen phosphate;neodymium
CID 174801976
iron;octadecyl dihydrogen phosphate
CID 175059517
CID 170842594
CID 170842594

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)ethyl dihydrogen phosphate?
The IUPAC name of 2-(pentylamino)ethyl dihydrogen phosphate (CID 87921283) is 2-(pentylamino)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(pentylamino)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(pentylamino)ethyl dihydrogen phosphate is CCCCCNCCOP(=O)(O)O.
What is the InChIKey of 2-(pentylamino)ethyl dihydrogen phosphate?
The InChIKey is RPMRTZUTOURTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO4P/c1-2-3-4-5-8-6-7-12-13(9,10)11/h8H,2-7H2,1H3,(H2,9,10,11).
What are the key properties of 2-(pentylamino)ethyl dihydrogen phosphate?
2-(pentylamino)ethyl dihydrogen phosphate has a molecular weight of 211.20 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)ethyl dihydrogen phosphate is sourced from PubChem (CID 87921283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).