N-hexyl-2-(3-methylphenyl)ethenimine

C15H21N — CID 175271748

IUPACN-hexyl-2-(3-methylphenyl)ethenimine
SMILESCCCCCCN=C=Cc1cccc(C)c1
InChIInChI=1S/C15H21N/c1-3-4-5-6-11-16-12-10-15-9-7-8-14(2)13-15/h7-10,13H,3-6,11H2,1-2H3
InChIKeyUFKHSHRNWPXIKW-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.26
Rot. Bonds6

About N-hexyl-2-(3-methylphenyl)ethenimine

N-hexyl-2-(3-methylphenyl)ethenimine (PubChem CID 175271748) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-hexyl-2-(3-methylphenyl)ethenimine.

Molecular Properties

Compound NameN-hexyl-2-(3-methylphenyl)ethenimine
PubChem CID175271748
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-hexyl-2-(3-methylphenyl)ethenimine
SMILESCCCCCCN=C=Cc1cccc(C)c1
InChIInChI=1S/C15H21N/c1-3-4-5-6-11-16-12-10-15-9-7-8-14(2)13-15/h7-10,13H,3-6,11H2,1-2H3
InChIKeyUFKHSHRNWPXIKW-UHFFFAOYSA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.26
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-hexyl-2-(3-methylphenyl)ethenimine 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-hexyl-2-(3-methylphenyl)ethenimine?
The IUPAC name of N-hexyl-2-(3-methylphenyl)ethenimine (CID 175271748) is N-hexyl-2-(3-methylphenyl)ethenimine.
What is the SMILES notation for N-hexyl-2-(3-methylphenyl)ethenimine?
The canonical SMILES for N-hexyl-2-(3-methylphenyl)ethenimine is CCCCCCN=C=Cc1cccc(C)c1.
What is the InChIKey of N-hexyl-2-(3-methylphenyl)ethenimine?
The InChIKey is UFKHSHRNWPXIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-4-5-6-11-16-12-10-15-9-7-8-14(2)13-15/h7-10,13H,3-6,11H2,1-2H3.
What are the key properties of N-hexyl-2-(3-methylphenyl)ethenimine?
N-hexyl-2-(3-methylphenyl)ethenimine has a molecular weight of 215.34 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(3-methylphenyl)ethenimine is sourced from PubChem (CID 175271748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).