6-aminohexyl ethyl phosphate

C8H19NO4P- — CID 59343088

IUPAC6-aminohexyl ethyl phosphate
SMILESCCOP(=O)([O-])OCCCCCCN
InChIInChI=1S/C8H20NO4P/c1-2-12-14(10,11)13-8-6-4-3-5-7-9/h2-9H2,1H3,(H,10,11)/p-1
InChIKeyPTBQQOGUZNWFSD-UHFFFAOYSA-M
MW224.22 g/mol
LogP1.03
Rot. Bonds9

About 6-aminohexyl ethyl phosphate

6-aminohexyl ethyl phosphate (PubChem CID 59343088) has the molecular formula C8H19NO4P- and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-aminohexyl ethyl phosphate.

Molecular Properties

Compound Name6-aminohexyl ethyl phosphate
PubChem CID59343088
Molecular FormulaC8H19NO4P-
Molecular Weight224.22 g/mol
Exact Mass224.11
IUPAC Name6-aminohexyl ethyl phosphate
SMILESCCOP(=O)([O-])OCCCCCCN
InChIInChI=1S/C8H20NO4P/c1-2-12-14(10,11)13-8-6-4-3-5-7-9/h2-9H2,1H3,(H,10,11)/p-1
InChIKeyPTBQQOGUZNWFSD-UHFFFAOYSA-M
XLogP1.03
TPSA84.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Diethyl hexylphosphoramidate
CID 97166
Phosphoric acid, octadecyl ester, compd. with 1-octadecanamine
CID 44147975
6-Aminohexyl dihydrogen phosphate
CID 533876
1-Diethoxyphosphorylhexan-1-amine
CID 12617047
Butylammonium dibutylphosphate
CID 129865812
Bis(2-aminoethyl) hexyl phosphate
CID 3020758
Einecs 299-143-1
CID 19002467
Aminohexyl phosphate
CID 21947198
6-(Fluoroamino)hexyl dihydrogen phosphate
CID 88937106
1-Difluorooxyphosphoryloxyhexylazanium
CID 145807030
1-Aminohexyl difluoro phosphate
CID 145807031
N-diethoxyphosphorylpentan-1-amine
CID 12804376

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl ethyl phosphate?
The IUPAC name of 6-aminohexyl ethyl phosphate (CID 59343088) is 6-aminohexyl ethyl phosphate.
What is the SMILES notation for 6-aminohexyl ethyl phosphate?
The canonical SMILES for 6-aminohexyl ethyl phosphate is CCOP(=O)([O-])OCCCCCCN.
What is the InChIKey of 6-aminohexyl ethyl phosphate?
The InChIKey is PTBQQOGUZNWFSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO4P/c1-2-12-14(10,11)13-8-6-4-3-5-7-9/h2-9H2,1H3,(H,10,11)/p-1.
What are the key properties of 6-aminohexyl ethyl phosphate?
6-aminohexyl ethyl phosphate has a molecular weight of 224.22 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl ethyl phosphate is sourced from PubChem (CID 59343088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).