2-(8-undecan-3-yloxynon-8-enylamino)ethanol

C22H45NO2 — CID 166922902

IUPAC2-(8-undecan-3-yloxynon-8-enylamino)ethanol
SMILESC=C(CCCCCCCNCCO)OC(CC)CCCCCCCC
InChIInChI=1S/C22H45NO2/c1-4-6-7-8-11-14-17-22(5-2)25-21(3)16-13-10-9-12-15-18-23-19-20-24/h22-24H,3-20H2,1-2H3
InChIKeyLJYYRGZUOGDGSM-UHFFFAOYSA-N
MW355.61 g/mol
LogP5.97
Rot. Bonds20

About 2-(8-undecan-3-yloxynon-8-enylamino)ethanol

2-(8-undecan-3-yloxynon-8-enylamino)ethanol (PubChem CID 166922902) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is 2-(8-undecan-3-yloxynon-8-enylamino)ethanol.

Molecular Properties

Compound Name2-(8-undecan-3-yloxynon-8-enylamino)ethanol
PubChem CID166922902
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC Name2-(8-undecan-3-yloxynon-8-enylamino)ethanol
SMILESC=C(CCCCCCCNCCO)OC(CC)CCCCCCCC
InChIInChI=1S/C22H45NO2/c1-4-6-7-8-11-14-17-22(5-2)25-21(3)16-13-10-9-12-15-18-23-19-20-24/h22-24H,3-20H2,1-2H3
InChIKeyLJYYRGZUOGDGSM-UHFFFAOYSA-N
XLogP5.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 55.97
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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Frequently Asked Questions

What is the IUPAC name of 2-(8-undecan-3-yloxynon-8-enylamino)ethanol?
The IUPAC name of 2-(8-undecan-3-yloxynon-8-enylamino)ethanol (CID 166922902) is 2-(8-undecan-3-yloxynon-8-enylamino)ethanol.
What is the SMILES notation for 2-(8-undecan-3-yloxynon-8-enylamino)ethanol?
The canonical SMILES for 2-(8-undecan-3-yloxynon-8-enylamino)ethanol is C=C(CCCCCCCNCCO)OC(CC)CCCCCCCC.
What is the InChIKey of 2-(8-undecan-3-yloxynon-8-enylamino)ethanol?
The InChIKey is LJYYRGZUOGDGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-4-6-7-8-11-14-17-22(5-2)25-21(3)16-13-10-9-12-15-18-23-19-20-24/h22-24H,3-20H2,1-2H3.
What are the key properties of 2-(8-undecan-3-yloxynon-8-enylamino)ethanol?
2-(8-undecan-3-yloxynon-8-enylamino)ethanol has a molecular weight of 355.61 g/mol, XLogP of 5.97, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-undecan-3-yloxynon-8-enylamino)ethanol is sourced from PubChem (CID 166922902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).