N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine

C8H13NO — CID 143124542

IUPACN-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C(C)C)OC
InChIInChI=1S/C8H13NO/c1-7(2)5-6-8(9-3)10-4/h5-6H,3H2,1-2,4H3/b8-6+
InChIKeyXTQZYPVTARVFMU-SOFGYWHQSA-N
MW139.20 g/mol
LogP2.14
Rot. Bonds3

About N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine

N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine (PubChem CID 143124542) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine
PubChem CID143124542
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C(C)C)OC
InChIInChI=1S/C8H13NO/c1-7(2)5-6-8(9-3)10-4/h5-6H,3H2,1-2,4H3/b8-6+
InChIKeyXTQZYPVTARVFMU-SOFGYWHQSA-N
XLogP2.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]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-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine (CID 143124542) is N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine is C=N/C(=C\C=C(C)C)OC.
What is the InChIKey of N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine?
The InChIKey is XTQZYPVTARVFMU-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)5-6-8(9-3)10-4/h5-6H,3H2,1-2,4H3/b8-6+.
What are the key properties of N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine?
N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine has a molecular weight of 139.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 143124542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).