2-(7-aminotridecan-7-yloxy)ethanol

C15H33NO2 — CID 173251494

IUPAC2-(7-aminotridecan-7-yloxy)ethanol
SMILESCCCCCCC(N)(CCCCCC)OCCO
InChIInChI=1S/C15H33NO2/c1-3-5-7-9-11-15(16,18-14-13-17)12-10-8-6-4-2/h17H,3-14,16H2,1-2H3
InChIKeyBSPDALXKHFATTK-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.59
Rot. Bonds13

About 2-(7-aminotridecan-7-yloxy)ethanol

2-(7-aminotridecan-7-yloxy)ethanol (PubChem CID 173251494) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-(7-aminotridecan-7-yloxy)ethanol.

Molecular Properties

Compound Name2-(7-aminotridecan-7-yloxy)ethanol
PubChem CID173251494
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-(7-aminotridecan-7-yloxy)ethanol
SMILESCCCCCCC(N)(CCCCCC)OCCO
InChIInChI=1S/C15H33NO2/c1-3-5-7-9-11-15(16,18-14-13-17)12-10-8-6-4-2/h17H,3-14,16H2,1-2H3
InChIKeyBSPDALXKHFATTK-UHFFFAOYSA-N
XLogP3.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-amino-3-[2-(2-hydroxyethoxy)ethyl]icosoxy]ethanol
CID 57295459
2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol
CID 142712379
2-(2,3-dimethyloctan-3-yloxy)ethanol
CID 142712610
2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol
CID 87981281
3-amino-3-heptadecylpentane-1,5-diol;2-[butyl(2-hydroxyethoxy)amino]oxyethanol
CID 174172810
3-amino-3-hexadecylpentane-1,5-diol;hydrochloride
CID 173408839
1-decoxydecane-1,1-diamine
CID 87410137
3-amino-3-octadecylpentane-1,5-diol;hydrochloride
CID 173050553
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-amino-2-octadecylpropane-1,3-diol
CID 10712432
2-amino-2-pentadecylpropane-1,3-diol
CID 10266875
2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol
CID 166943275

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminotridecan-7-yloxy)ethanol?
The IUPAC name of 2-(7-aminotridecan-7-yloxy)ethanol (CID 173251494) is 2-(7-aminotridecan-7-yloxy)ethanol.
What is the SMILES notation for 2-(7-aminotridecan-7-yloxy)ethanol?
The canonical SMILES for 2-(7-aminotridecan-7-yloxy)ethanol is CCCCCCC(N)(CCCCCC)OCCO.
What is the InChIKey of 2-(7-aminotridecan-7-yloxy)ethanol?
The InChIKey is BSPDALXKHFATTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-3-5-7-9-11-15(16,18-14-13-17)12-10-8-6-4-2/h17H,3-14,16H2,1-2H3.
What are the key properties of 2-(7-aminotridecan-7-yloxy)ethanol?
2-(7-aminotridecan-7-yloxy)ethanol has a molecular weight of 259.43 g/mol, XLogP of 3.59, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminotridecan-7-yloxy)ethanol is sourced from PubChem (CID 173251494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).