2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol

C22H46N2O2 — CID 170851655

IUPAC2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol
SMILESOCCNCCCCCCCC/C=C\CCCCCCCCNCCO
InChIInChI=1S/C22H46N2O2/c25-21-19-23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24-20-22-26/h1-2,23-26H,3-22H2/b2-1-
InChIKeyYICSOFXTUVFZMI-UPHRSURJSA-N
MW370.62 g/mol
LogP4.17
Rot. Bonds22

About 2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol

2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol (PubChem CID 170851655) has the molecular formula C22H46N2O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is 2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol
PubChem CID170851655
Molecular FormulaC22H46N2O2
Molecular Weight370.62 g/mol
Exact Mass370.36
IUPAC Name2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol
SMILESOCCNCCCCCCCC/C=C\CCCCCCCCNCCO
InChIInChI=1S/C22H46N2O2/c25-21-19-23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24-20-22-26/h1-2,23-26H,3-22H2/b2-1-
InChIKeyYICSOFXTUVFZMI-UPHRSURJSA-N
XLogP4.17
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.62
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol?
The IUPAC name of 2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol (CID 170851655) is 2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol?
The canonical SMILES for 2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol is OCCNCCCCCCCC/C=C\CCCCCCCCNCCO.
What is the InChIKey of 2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol?
The InChIKey is YICSOFXTUVFZMI-UPHRSURJSA-N. The full InChI is InChI=1S/C22H46N2O2/c25-21-19-23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24-20-22-26/h1-2,23-26H,3-22H2/b2-1-.
What are the key properties of 2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol?
2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol has a molecular weight of 370.62 g/mol, XLogP of 4.17, 22 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-18-(2-hydroxyethylamino)octadec-9-enyl]amino]ethanol is sourced from PubChem (CID 170851655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).