N-(3-methylpenta-1,2,4-trienyl)methanimine

C7H9N — CID 91084542

IUPACN-(3-methylpenta-1,2,4-trienyl)methanimine
SMILESC=CC(C)=C=CN=C
InChIInChI=1S/C7H9N/c1-4-7(2)5-6-8-3/h4,6H,1,3H2,2H3
InChIKeyAGOUEBIWJLPFBO-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.93
Rot. Bonds2

About N-(3-methylpenta-1,2,4-trienyl)methanimine

N-(3-methylpenta-1,2,4-trienyl)methanimine (PubChem CID 91084542) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-(3-methylpenta-1,2,4-trienyl)methanimine.

Molecular Properties

Compound NameN-(3-methylpenta-1,2,4-trienyl)methanimine
PubChem CID91084542
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-(3-methylpenta-1,2,4-trienyl)methanimine
SMILESC=CC(C)=C=CN=C
InChIInChI=1S/C7H9N/c1-4-7(2)5-6-8-3/h4,6H,1,3H2,2H3
InChIKeyAGOUEBIWJLPFBO-UHFFFAOYSA-N
XLogP1.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-methylpenta-1,2,4-trienyl)methanimine 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-(3-methylpenta-1,2,4-trienyl)methanimine?
The IUPAC name of N-(3-methylpenta-1,2,4-trienyl)methanimine (CID 91084542) is N-(3-methylpenta-1,2,4-trienyl)methanimine.
What is the SMILES notation for N-(3-methylpenta-1,2,4-trienyl)methanimine?
The canonical SMILES for N-(3-methylpenta-1,2,4-trienyl)methanimine is C=CC(C)=C=CN=C.
What is the InChIKey of N-(3-methylpenta-1,2,4-trienyl)methanimine?
The InChIKey is AGOUEBIWJLPFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-4-7(2)5-6-8-3/h4,6H,1,3H2,2H3.
What are the key properties of N-(3-methylpenta-1,2,4-trienyl)methanimine?
N-(3-methylpenta-1,2,4-trienyl)methanimine has a molecular weight of 107.16 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpenta-1,2,4-trienyl)methanimine is sourced from PubChem (CID 91084542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).