1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol

C18H39NO4 — CID 175685061

IUPAC1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol
SMILESCCCCCCCCCCCC(O)NCCOCCOCCO
InChIInChI=1S/C18H39NO4/c1-2-3-4-5-6-7-8-9-10-11-18(21)19-12-14-22-16-17-23-15-13-20/h18-21H,2-17H2,1H3
InChIKeyHDBRMNDJYZZWPX-UHFFFAOYSA-N
MW333.51 g/mol
LogP2.84
Rot. Bonds19

About 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol

1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol (PubChem CID 175685061) has the molecular formula C18H39NO4 and a molecular weight of 333.51 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol
PubChem CID175685061
Molecular FormulaC18H39NO4
Molecular Weight333.51 g/mol
Exact Mass333.29
IUPAC Name1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol
SMILESCCCCCCCCCCCC(O)NCCOCCOCCO
InChIInChI=1S/C18H39NO4/c1-2-3-4-5-6-7-8-9-10-11-18(21)19-12-14-22-16-17-23-15-13-20/h18-21H,2-17H2,1H3
InChIKeyHDBRMNDJYZZWPX-UHFFFAOYSA-N
XLogP2.84
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
1-(3-hydroxypropylamino)octan-1-ol
CID 57106869
1-(3-hydroxypropylamino)decan-1-ol
CID 57171427
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol
CID 172569633
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 89123871
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
1-(propylamino)nonan-1-ol
CID 88518015
1-(butylamino)dodecan-1-ol
CID 88517958

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol?
The IUPAC name of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol (CID 175685061) is 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol.
What is the SMILES notation for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol?
The canonical SMILES for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol is CCCCCCCCCCCC(O)NCCOCCOCCO.
What is the InChIKey of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol?
The InChIKey is HDBRMNDJYZZWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO4/c1-2-3-4-5-6-7-8-9-10-11-18(21)19-12-14-22-16-17-23-15-13-20/h18-21H,2-17H2,1H3.
What are the key properties of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol?
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol has a molecular weight of 333.51 g/mol, XLogP of 2.84, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol is sourced from PubChem (CID 175685061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).