2-[6-heptoxyhexyl(heptyl)amino]ethanol

C22H47NO2 — CID 167511093

IUPAC2-[6-heptoxyhexyl(heptyl)amino]ethanol
SMILESCCCCCCCOCCCCCCN(CCO)CCCCCCC
InChIInChI=1S/C22H47NO2/c1-3-5-7-9-13-17-23(19-20-24)18-14-10-12-16-22-25-21-15-11-8-6-4-2/h24H,3-22H2,1-2H3
InChIKeyAORAAOOFDFTJKB-UHFFFAOYSA-N
MW357.62 g/mol
LogP5.80
Rot. Bonds21

About 2-[6-heptoxyhexyl(heptyl)amino]ethanol

2-[6-heptoxyhexyl(heptyl)amino]ethanol (PubChem CID 167511093) has the molecular formula C22H47NO2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 2-[6-heptoxyhexyl(heptyl)amino]ethanol.

Molecular Properties

Compound Name2-[6-heptoxyhexyl(heptyl)amino]ethanol
PubChem CID167511093
Molecular FormulaC22H47NO2
Molecular Weight357.62 g/mol
Exact Mass357.36
IUPAC Name2-[6-heptoxyhexyl(heptyl)amino]ethanol
SMILESCCCCCCCOCCCCCCN(CCO)CCCCCCC
InChIInChI=1S/C22H47NO2/c1-3-5-7-9-13-17-23(19-20-24)18-14-10-12-16-22-25-21-15-11-8-6-4-2/h24H,3-22H2,1-2H3
InChIKeyAORAAOOFDFTJKB-UHFFFAOYSA-N
XLogP5.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
CID 71328174
2-[3-octadecoxypropyl(propyl)amino]ethanol
CID 157484985
2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
CID 57180340
2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 3020326
2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54313523
1-[2-hydroxyethyl(6-nonoxyhexyl)amino]hexadecan-8-one
CID 170754920
3-[3-hydroxypropyl(3-octadecoxypropyl)amino]propan-1-ol
CID 14389695
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
4-[4-heptoxybutyl(6-methoxyhexyl)amino]butan-1-ol
CID 170743336
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610

Frequently Asked Questions

What is the IUPAC name of 2-[6-heptoxyhexyl(heptyl)amino]ethanol?
The IUPAC name of 2-[6-heptoxyhexyl(heptyl)amino]ethanol (CID 167511093) is 2-[6-heptoxyhexyl(heptyl)amino]ethanol.
What is the SMILES notation for 2-[6-heptoxyhexyl(heptyl)amino]ethanol?
The canonical SMILES for 2-[6-heptoxyhexyl(heptyl)amino]ethanol is CCCCCCCOCCCCCCN(CCO)CCCCCCC.
What is the InChIKey of 2-[6-heptoxyhexyl(heptyl)amino]ethanol?
The InChIKey is AORAAOOFDFTJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO2/c1-3-5-7-9-13-17-23(19-20-24)18-14-10-12-16-22-25-21-15-11-8-6-4-2/h24H,3-22H2,1-2H3.
What are the key properties of 2-[6-heptoxyhexyl(heptyl)amino]ethanol?
2-[6-heptoxyhexyl(heptyl)amino]ethanol has a molecular weight of 357.62 g/mol, XLogP of 5.80, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-heptoxyhexyl(heptyl)amino]ethanol is sourced from PubChem (CID 167511093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).