9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol

C24H43NO2 — CID 87691483

IUPAC9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol
SMILESC=CCC(O)(CC=C)CCCCCNCCCCCC(O)(CC=C)CC=C
InChIInChI=1S/C24H43NO2/c1-5-15-23(26,16-6-2)19-11-9-13-21-25-22-14-10-12-20-24(27,17-7-3)18-8-4/h5-8,25-27H,1-4,9-22H2
InChIKeyOHMKPUCXYNXVQF-UHFFFAOYSA-N
MW377.61 g/mol
LogP5.46
Rot. Bonds20

About 9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol

9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol (PubChem CID 87691483) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol.

Molecular Properties

Compound Name9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol
PubChem CID87691483
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC Name9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol
SMILESC=CCC(O)(CC=C)CCCCCNCCCCCC(O)(CC=C)CC=C
InChIInChI=1S/C24H43NO2/c1-5-15-23(26,16-6-2)19-11-9-13-21-25-22-14-10-12-20-24(27,17-7-3)18-8-4/h5-8,25-27H,1-4,9-22H2
InChIKeyOHMKPUCXYNXVQF-UHFFFAOYSA-N
XLogP5.46
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 55.46
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'}

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Frequently Asked Questions

What is the IUPAC name of 9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol?
The IUPAC name of 9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol (CID 87691483) is 9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol.
What is the SMILES notation for 9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol?
The canonical SMILES for 9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol is C=CCC(O)(CC=C)CCCCCNCCCCCC(O)(CC=C)CC=C.
What is the InChIKey of 9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol?
The InChIKey is OHMKPUCXYNXVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2/c1-5-15-23(26,16-6-2)19-11-9-13-21-25-22-14-10-12-20-24(27,17-7-3)18-8-4/h5-8,25-27H,1-4,9-22H2.
What are the key properties of 9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol?
9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol has a molecular weight of 377.61 g/mol, XLogP of 5.46, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol is sourced from PubChem (CID 87691483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).