8-(benzylamino)octan-1-ol

C15H25NO — CID 44629746

IUPAC8-(benzylamino)octan-1-ol
SMILESOCCCCCCCCNCc1ccccc1
InChIInChI=1S/C15H25NO/c17-13-9-4-2-1-3-8-12-16-14-15-10-6-5-7-11-15/h5-7,10-11,16-17H,1-4,8-9,12-14H2
InChIKeyIBPIDYZSOUSSOS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.11
Rot. Bonds10

About 8-(benzylamino)octan-1-ol

8-(benzylamino)octan-1-ol (PubChem CID 44629746) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 8-(benzylamino)octan-1-ol.

Molecular Properties

Compound Name8-(benzylamino)octan-1-ol
PubChem CID44629746
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name8-(benzylamino)octan-1-ol
SMILESOCCCCCCCCNCc1ccccc1
InChIInChI=1S/C15H25NO/c17-13-9-4-2-1-3-8-12-16-14-15-10-6-5-7-11-15/h5-7,10-11,16-17H,1-4,8-9,12-14H2
InChIKeyIBPIDYZSOUSSOS-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(benzylamino)octan-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 8-(benzylamino)octan-1-ol?
The IUPAC name of 8-(benzylamino)octan-1-ol (CID 44629746) is 8-(benzylamino)octan-1-ol.
What is the SMILES notation for 8-(benzylamino)octan-1-ol?
The canonical SMILES for 8-(benzylamino)octan-1-ol is OCCCCCCCCNCc1ccccc1.
What is the InChIKey of 8-(benzylamino)octan-1-ol?
The InChIKey is IBPIDYZSOUSSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-13-9-4-2-1-3-8-12-16-14-15-10-6-5-7-11-15/h5-7,10-11,16-17H,1-4,8-9,12-14H2.
What are the key properties of 8-(benzylamino)octan-1-ol?
8-(benzylamino)octan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzylamino)octan-1-ol is sourced from PubChem (CID 44629746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).