2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine

C22H39NO — CID 87721487

IUPAC2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCN
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyHNDGYFHZYLGWCM-DOFZRALJSA-N
MW333.56 g/mol
LogP6.11
Rot. Bonds17

About 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine

2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine (PubChem CID 87721487) 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-tetraenoxy]ethanamine.

Molecular Properties

Compound Name2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine
PubChem CID87721487
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCN
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyHNDGYFHZYLGWCM-DOFZRALJSA-N
XLogP6.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine?
The IUPAC name of 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine (CID 87721487) is 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine.
What is the SMILES notation for 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine?
The canonical SMILES for 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCN.
What is the InChIKey of 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine?
The InChIKey is HNDGYFHZYLGWCM-DOFZRALJSA-N. The full InChI is InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine?
2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanamine has a molecular weight of 333.56 g/mol, XLogP of 6.11, 17 rotatable bonds, 1 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-tetraenoxy]ethanamine is sourced from PubChem (CID 87721487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).