5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol

C22H39NO2 — CID 87691381

IUPAC5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol
SMILESC=CCC(CC=C)(CCCCO)NC(CC=C)(CC=C)CCCCO
InChIInChI=1S/C22H39NO2/c1-5-13-21(14-6-2,17-9-11-19-24)23-22(15-7-3,16-8-4)18-10-12-20-25/h5-8,23-25H,1-4,9-20H2
InChIKeyDKHLXXFLXPXRRH-UHFFFAOYSA-N
MW349.56 g/mol
LogP4.68
Rot. Bonds18

About 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol

5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol (PubChem CID 87691381) has the molecular formula C22H39NO2 and a molecular weight of 349.56 g/mol. Its IUPAC name is 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol.

Molecular Properties

Compound Name5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol
PubChem CID87691381
Molecular FormulaC22H39NO2
Molecular Weight349.56 g/mol
Exact Mass349.30
IUPAC Name5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol
SMILESC=CCC(CC=C)(CCCCO)NC(CC=C)(CC=C)CCCCO
InChIInChI=1S/C22H39NO2/c1-5-13-21(14-6-2,17-9-11-19-24)23-22(15-7-3,16-8-4)18-10-12-20-25/h5-8,23-25H,1-4,9-20H2
InChIKeyDKHLXXFLXPXRRH-UHFFFAOYSA-N
XLogP4.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol 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 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol?
The IUPAC name of 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol (CID 87691381) is 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol.
What is the SMILES notation for 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol?
The canonical SMILES for 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol is C=CCC(CC=C)(CCCCO)NC(CC=C)(CC=C)CCCCO.
What is the InChIKey of 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol?
The InChIKey is DKHLXXFLXPXRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2/c1-5-13-21(14-6-2,17-9-11-19-24)23-22(15-7-3,16-8-4)18-10-12-20-25/h5-8,23-25H,1-4,9-20H2.
What are the key properties of 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol?
5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol has a molecular weight of 349.56 g/mol, XLogP of 4.68, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol is sourced from PubChem (CID 87691381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).