1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol

C22H48N2O3 — CID 46200123

IUPAC1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNCCOCCOCCN
InChIInChI=1S/C22H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22(25)21-24-16-18-27-20-19-26-17-15-23/h22,24-25H,2-21,23H2,1H3
InChIKeyGFILPOVHWOKDRU-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.02
Rot. Bonds23

About 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol

1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol (PubChem CID 46200123) has the molecular formula C22H48N2O3 and a molecular weight of 388.64 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol
PubChem CID46200123
Molecular FormulaC22H48N2O3
Molecular Weight388.64 g/mol
Exact Mass388.37
IUPAC Name1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNCCOCCOCCN
InChIInChI=1S/C22H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22(25)21-24-16-18-27-20-19-26-17-15-23/h22,24-25H,2-21,23H2,1H3
InChIKeyGFILPOVHWOKDRU-UHFFFAOYSA-N
XLogP4.02
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol
CID 161191113
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-(propylamino)hexadecan-2-ol
CID 88695975
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol?
The IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol (CID 46200123) is 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol.
What is the SMILES notation for 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol?
The canonical SMILES for 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol is CCCCCCCCCCCCCCC(O)CNCCOCCOCCN.
What is the InChIKey of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol?
The InChIKey is GFILPOVHWOKDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22(25)21-24-16-18-27-20-19-26-17-15-23/h22,24-25H,2-21,23H2,1H3.
What are the key properties of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol?
1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol has a molecular weight of 388.64 g/mol, XLogP of 4.02, 23 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol is sourced from PubChem (CID 46200123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).