(2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine

C10H17NO — CID 134423323

IUPAC(2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C(/CC)OC)CC
InChIInChI=1S/C10H17NO/c1-4-9(8-11)6-7-10(5-2)12-3/h6-8,11H,4-5H2,1-3H3/b9-6-,10-7+,11-8+
InChIKeyAGLDEDCGEZPILG-BCPVTWBXSA-N
MW167.25 g/mol
LogP2.91
Rot. Bonds5

About (2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine

(2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine (PubChem CID 134423323) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine
PubChem CID134423323
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C(/CC)OC)CC
InChIInChI=1S/C10H17NO/c1-4-9(8-11)6-7-10(5-2)12-3/h6-8,11H,4-5H2,1-3H3/b9-6-,10-7+,11-8+
InChIKeyAGLDEDCGEZPILG-BCPVTWBXSA-N
XLogP2.91
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine (CID 134423323) is (2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine is [H]/N=C/C(=C\C=C(/CC)OC)CC.
What is the InChIKey of (2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine?
The InChIKey is AGLDEDCGEZPILG-BCPVTWBXSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-9(8-11)6-7-10(5-2)12-3/h6-8,11H,4-5H2,1-3H3/b9-6-,10-7+,11-8+.
What are the key properties of (2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine?
(2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine has a molecular weight of 167.25 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine is sourced from PubChem (CID 134423323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).