2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol

C22H39NO — CID 87246209

IUPAC2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNCCO
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-24/h6-7,9-10,12-13,15-16,23-24H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyLJKYKFRQAQCNIN-DOFZRALJSA-N
MW333.56 g/mol
LogP5.71
Rot. Bonds17

About 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol

2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol (PubChem CID 87246209) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol
PubChem CID87246209
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNCCO
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-24/h6-7,9-10,12-13,15-16,23-24H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyLJKYKFRQAQCNIN-DOFZRALJSA-N
XLogP5.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol?
The IUPAC name of 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol (CID 87246209) is 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol.
What is the SMILES notation for 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol?
The canonical SMILES for 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNCCO.
What is the InChIKey of 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol?
The InChIKey is LJKYKFRQAQCNIN-DOFZRALJSA-N. The full InChI is InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-24/h6-7,9-10,12-13,15-16,23-24H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol?
2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol has a molecular weight of 333.56 g/mol, XLogP of 5.71, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]ethanol is sourced from PubChem (CID 87246209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).