N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine

C11H17N — CID 126654021

IUPACN-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine
SMILESC=C/C=C(\C)C(C)C(C=C)N=C
InChIInChI=1S/C11H17N/c1-6-8-9(3)10(4)11(7-2)12-5/h6-8,10-11H,1-2,5H2,3-4H3/b9-8+
InChIKeyUAXBTUIYEOTASR-CMDGGOBGSA-N
MW163.26 g/mol
LogP3.01
Rot. Bonds5

About N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine

N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine (PubChem CID 126654021) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine
PubChem CID126654021
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine
SMILESC=C/C=C(\C)C(C)C(C=C)N=C
InChIInChI=1S/C11H17N/c1-6-8-9(3)10(4)11(7-2)12-5/h6-8,10-11H,1-2,5H2,3-4H3/b9-8+
InChIKeyUAXBTUIYEOTASR-CMDGGOBGSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine?
The IUPAC name of N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine (CID 126654021) is N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine.
What is the SMILES notation for N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine?
The canonical SMILES for N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine is C=C/C=C(\C)C(C)C(C=C)N=C.
What is the InChIKey of N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine?
The InChIKey is UAXBTUIYEOTASR-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H17N/c1-6-8-9(3)10(4)11(7-2)12-5/h6-8,10-11H,1-2,5H2,3-4H3/b9-8+.
What are the key properties of N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine?
N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine is sourced from PubChem (CID 126654021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).