N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid

C26H47NO2 — CID 173189237

IUPACN,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)O.CCN(CC)CC
InChIInChI=1S/C20H32O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-4-7(5-2)6-3/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);4-6H2,1-3H3
InChIKeyZWQFZLRUUXGOGH-UHFFFAOYSA-N
MW405.67 g/mol
LogP7.56
Rot. Bonds17

About N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid

N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid (PubChem CID 173189237) has the molecular formula C26H47NO2 and a molecular weight of 405.67 g/mol. Its IUPAC name is N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid
PubChem CID173189237
Molecular FormulaC26H47NO2
Molecular Weight405.67 g/mol
Exact Mass405.36
IUPAC NameN,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)O.CCN(CC)CC
InChIInChI=1S/C20H32O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-4-7(5-2)6-3/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);4-6H2,1-3H3
InChIKeyZWQFZLRUUXGOGH-UHFFFAOYSA-N
XLogP7.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 57.56
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 N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid with MolForge

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

Launch Full Analysis

Related Compounds

N,N-diethylethanamine;(9Z,12Z)-octadeca-9,12-dienoic acid
CID 173189285
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
octadeca-5,8,12-trienoic acid
CID 173410931
CID 87290377
CID 87290377
potassium;hydride;icosa-5,8,11,14-tetraenoic acid
CID 173062804
(Z)-docos-13-enoic acid;(5E,8E,11E)-icosa-5,8,11-trienoic acid
CID 87638416

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid?
The IUPAC name of N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid (CID 173189237) is N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid is CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid?
The InChIKey is ZWQFZLRUUXGOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-4-7(5-2)6-3/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid?
N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid has a molecular weight of 405.67 g/mol, XLogP of 7.56, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;icosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 173189237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).