N-octyl-1-phenylmethanimine

C15H23N — CID 525558

IUPACN-octyl-1-phenylmethanimine
SMILESCCCCCCCC/N=C/c1ccccc1
InChIInChI=1S/C15H23N/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3/b16-14+
InChIKeyAALHPZGQEHBZET-JQIJEIRASA-N
MW217.36 g/mol
LogP4.47
Rot. Bonds8

About N-octyl-1-phenylmethanimine

N-octyl-1-phenylmethanimine (PubChem CID 525558) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-octyl-1-phenylmethanimine.

Molecular Properties

Compound NameN-octyl-1-phenylmethanimine
PubChem CID525558
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-octyl-1-phenylmethanimine
SMILESCCCCCCCC/N=C/c1ccccc1
InChIInChI=1S/C15H23N/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3/b16-14+
InChIKeyAALHPZGQEHBZET-JQIJEIRASA-N
XLogP4.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-octyl-1-phenylmethanimine 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 N-octyl-1-phenylmethanimine?
The IUPAC name of N-octyl-1-phenylmethanimine (CID 525558) is N-octyl-1-phenylmethanimine.
What is the SMILES notation for N-octyl-1-phenylmethanimine?
The canonical SMILES for N-octyl-1-phenylmethanimine is CCCCCCCC/N=C/c1ccccc1.
What is the InChIKey of N-octyl-1-phenylmethanimine?
The InChIKey is AALHPZGQEHBZET-JQIJEIRASA-N. The full InChI is InChI=1S/C15H23N/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3/b16-14+.
What are the key properties of N-octyl-1-phenylmethanimine?
N-octyl-1-phenylmethanimine has a molecular weight of 217.36 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-1-phenylmethanimine is sourced from PubChem (CID 525558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).