9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol

C18H35NO2 — CID 87685811

IUPAC9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol
SMILESC=CCC(O)(CC=C)CCCCCNCCCCCCO
InChIInChI=1S/C18H35NO2/c1-3-12-18(21,13-4-2)14-8-7-10-16-19-15-9-5-6-11-17-20/h3-4,19-21H,1-2,5-17H2
InChIKeyFEVFFONEGJIBNM-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.57
Rot. Bonds16

About 9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol

9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol (PubChem CID 87685811) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol.

Molecular Properties

Compound Name9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol
PubChem CID87685811
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol
SMILESC=CCC(O)(CC=C)CCCCCNCCCCCCO
InChIInChI=1S/C18H35NO2/c1-3-12-18(21,13-4-2)14-8-7-10-16-19-15-9-5-6-11-17-20/h3-4,19-21H,1-2,5-17H2
InChIKeyFEVFFONEGJIBNM-UHFFFAOYSA-N
XLogP3.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.57
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-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol?
The IUPAC name of 9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol (CID 87685811) is 9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol.
What is the SMILES notation for 9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol?
The canonical SMILES for 9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol is C=CCC(O)(CC=C)CCCCCNCCCCCCO.
What is the InChIKey of 9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol?
The InChIKey is FEVFFONEGJIBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-3-12-18(21,13-4-2)14-8-7-10-16-19-15-9-5-6-11-17-20/h3-4,19-21H,1-2,5-17H2.
What are the key properties of 9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol?
9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol has a molecular weight of 297.48 g/mol, XLogP of 3.57, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol is sourced from PubChem (CID 87685811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).