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

C20H44N2O3 — CID 46199805

IUPAC1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CNCCOCCOCCN
InChIInChI=1S/C20H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-20(23)19-22-14-16-25-18-17-24-15-13-21/h20,22-23H,2-19,21H2,1H3
InChIKeyVHIJCJLAUOPSFY-UHFFFAOYSA-N
MW360.58 g/mol
LogP3.24
Rot. Bonds21

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

1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol (PubChem CID 46199805) has the molecular formula C20H44N2O3 and a molecular weight of 360.58 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol
PubChem CID46199805
Molecular FormulaC20H44N2O3
Molecular Weight360.58 g/mol
Exact Mass360.34
IUPAC Name1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CNCCOCCOCCN
InChIInChI=1S/C20H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-20(23)19-22-14-16-25-18-17-24-15-13-21/h20,22-23H,2-19,21H2,1H3
InChIKeyVHIJCJLAUOPSFY-UHFFFAOYSA-N
XLogP3.24
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol?
The IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol (CID 46199805) is 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol.
What is the SMILES notation for 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol?
The canonical SMILES for 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol is CCCCCCCCCCCCC(O)CNCCOCCOCCN.
What is the InChIKey of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol?
The InChIKey is VHIJCJLAUOPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-20(23)19-22-14-16-25-18-17-24-15-13-21/h20,22-23H,2-19,21H2,1H3.
What are the key properties of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol?
1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]tetradecan-2-ol has a molecular weight of 360.58 g/mol, XLogP of 3.24, 21 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]tetradecan-2-ol is sourced from PubChem (CID 46199805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).