2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol

C28H57NO2 — CID 145405651

IUPAC2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol
SMILESC=C(CCCCCCCNCCO)OC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C28H57NO2/c1-4-6-8-10-14-18-22-28(23-19-15-11-9-7-5-2)31-27(3)21-17-13-12-16-20-24-29-25-26-30/h28-30H,3-26H2,1-2H3
InChIKeyYOJOBRNUIKRXFD-UHFFFAOYSA-N
MW439.77 g/mol
LogP8.31
Rot. Bonds26

About 2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol

2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol (PubChem CID 145405651) has the molecular formula C28H57NO2 and a molecular weight of 439.77 g/mol. Its IUPAC name is 2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol.

Molecular Properties

Compound Name2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol
PubChem CID145405651
Molecular FormulaC28H57NO2
Molecular Weight439.77 g/mol
Exact Mass439.44
IUPAC Name2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol
SMILESC=C(CCCCCCCNCCO)OC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C28H57NO2/c1-4-6-8-10-14-18-22-28(23-19-15-11-9-7-5-2)31-27(3)21-17-13-12-16-20-24-29-25-26-30/h28-30H,3-26H2,1-2H3
InChIKeyYOJOBRNUIKRXFD-UHFFFAOYSA-N
XLogP8.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.77
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-Dodecan-2-yloxyprop-2-enylamino)ethanol
CID 87295195
(Z)-1-(2-hydroxyethylamino)icos-11-en-2-ol
CID 88103884
2-(2-Dodecoxyprop-2-enylamino)ethanol
CID 88943945
(7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol
CID 91075756
1-[[2-Hydroxy-3-[4-[[2-hydroxy-3-(3-tetradecoxybut-3-enylamino)propyl]-tetradecylamino]butyl-tetradecylamino]propyl]amino]nonadecan-3-ol
CID 138548461
8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine
CID 142599436
(Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol
CID 151601533
2-(8-Undecan-3-yloxynon-8-enylamino)ethanol
CID 166922902
2-[8-Heptadecan-9-yloxynon-8-enyl(tetradecyl)amino]ethanol
CID 166922903
2-[Hexadecyl(10-tridecan-7-yloxyundec-10-enyl)amino]ethanol
CID 166922906
2-[8-Nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol
CID 166923342
N'-(8-heptadecan-9-yloxynon-8-enyl)-N-methyl-N'-(8-nonoxynon-8-enyl)propane-1,3-diamine
CID 167036822

Frequently Asked Questions

What is the IUPAC name of 2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol?
The IUPAC name of 2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol (CID 145405651) is 2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol.
What is the SMILES notation for 2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol?
The canonical SMILES for 2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol is C=C(CCCCCCCNCCO)OC(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol?
The InChIKey is YOJOBRNUIKRXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO2/c1-4-6-8-10-14-18-22-28(23-19-15-11-9-7-5-2)31-27(3)21-17-13-12-16-20-24-29-25-26-30/h28-30H,3-26H2,1-2H3.
What are the key properties of 2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol?
2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol has a molecular weight of 439.77 g/mol, XLogP of 8.31, 26 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-heptadecan-9-yloxynon-8-enylamino)ethanol is sourced from PubChem (CID 145405651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).