6-(2-diethoxyphosphorylethylamino)hexan-1-ol

C12H28NO4P — CID 175947298

IUPAC6-(2-diethoxyphosphorylethylamino)hexan-1-ol
SMILESCCOP(=O)(CCNCCCCCCO)OCC
InChIInChI=1S/C12H28NO4P/c1-3-16-18(15,17-4-2)12-10-13-9-7-5-6-8-11-14/h13-14H,3-12H2,1-2H3
InChIKeyYUUOGYAZROOPBJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.39
Rot. Bonds13

About 6-(2-diethoxyphosphorylethylamino)hexan-1-ol

6-(2-diethoxyphosphorylethylamino)hexan-1-ol (PubChem CID 175947298) has the molecular formula C12H28NO4P and a molecular weight of 281.33 g/mol. Its IUPAC name is 6-(2-diethoxyphosphorylethylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2-diethoxyphosphorylethylamino)hexan-1-ol
PubChem CID175947298
Molecular FormulaC12H28NO4P
Molecular Weight281.33 g/mol
Exact Mass281.18
IUPAC Name6-(2-diethoxyphosphorylethylamino)hexan-1-ol
SMILESCCOP(=O)(CCNCCCCCCO)OCC
InChIInChI=1S/C12H28NO4P/c1-3-16-18(15,17-4-2)12-10-13-9-7-5-6-8-11-14/h13-14H,3-12H2,1-2H3
InChIKeyYUUOGYAZROOPBJ-UHFFFAOYSA-N
XLogP2.39
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
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

8-diethoxyphosphoryloctan-1-ol
CID 10515886
4-(2-diethoxyphosphorylethylamino)butylcarbamic acid
CID 19738171
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
6-(butylamino)hexyl-ethoxyphosphinic acid
CID 155661164
ethoxy-[3-(octylamino)propyl]phosphinic acid
CID 155661215
8-(undecylamino)octan-1-ol
CID 139305047
ethyl 2-(2-diethoxyphosphorylethylamino)acetate
CID 112742494
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol
CID 53441021
2-diethoxyphosphorylethanesulfonic acid
CID 14904485
N-(2-diethoxyphosphorylethyl)heptanamide
CID 143289197
9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine
CID 146259268

Frequently Asked Questions

What is the IUPAC name of 6-(2-diethoxyphosphorylethylamino)hexan-1-ol?
The IUPAC name of 6-(2-diethoxyphosphorylethylamino)hexan-1-ol (CID 175947298) is 6-(2-diethoxyphosphorylethylamino)hexan-1-ol.
What is the SMILES notation for 6-(2-diethoxyphosphorylethylamino)hexan-1-ol?
The canonical SMILES for 6-(2-diethoxyphosphorylethylamino)hexan-1-ol is CCOP(=O)(CCNCCCCCCO)OCC.
What is the InChIKey of 6-(2-diethoxyphosphorylethylamino)hexan-1-ol?
The InChIKey is YUUOGYAZROOPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO4P/c1-3-16-18(15,17-4-2)12-10-13-9-7-5-6-8-11-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 6-(2-diethoxyphosphorylethylamino)hexan-1-ol?
6-(2-diethoxyphosphorylethylamino)hexan-1-ol has a molecular weight of 281.33 g/mol, XLogP of 2.39, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-diethoxyphosphorylethylamino)hexan-1-ol is sourced from PubChem (CID 175947298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).