7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol

C17H35NO2 — CID 87378171

IUPAC7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol
SMILESC=CCN(CCCCCCCO)CCCCCCCO
InChIInChI=1S/C17H35NO2/c1-2-13-18(14-9-5-3-7-11-16-19)15-10-6-4-8-12-17-20/h2,19-20H,1,3-17H2
InChIKeyUDXVEWWBKPLSGY-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.36
Rot. Bonds16

About 7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol

7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol (PubChem CID 87378171) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol.

Molecular Properties

Compound Name7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol
PubChem CID87378171
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol
SMILESC=CCN(CCCCCCCO)CCCCCCCO
InChIInChI=1S/C17H35NO2/c1-2-13-18(14-9-5-3-7-11-16-19)15-10-6-4-8-12-17-20/h2,19-20H,1,3-17H2
InChIKeyUDXVEWWBKPLSGY-UHFFFAOYSA-N
XLogP3.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
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 7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol?
The IUPAC name of 7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol (CID 87378171) is 7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol.
What is the SMILES notation for 7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol?
The canonical SMILES for 7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol is C=CCN(CCCCCCCO)CCCCCCCO.
What is the InChIKey of 7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol?
The InChIKey is UDXVEWWBKPLSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-2-13-18(14-9-5-3-7-11-16-19)15-10-6-4-8-12-17-20/h2,19-20H,1,3-17H2.
What are the key properties of 7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol?
7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol has a molecular weight of 285.47 g/mol, XLogP of 3.36, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-hydroxyheptyl(prop-2-enyl)amino]heptan-1-ol is sourced from PubChem (CID 87378171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).