(E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine

C16H27NO2 — CID 139308579

IUPAC(E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
SMILESC/C=C\C(=C/C=C/COC)\C(C)=N\OC(CC)CC
InChIInChI=1S/C16H27NO2/c1-6-11-15(12-9-10-13-18-5)14(4)17-19-16(7-2)8-3/h6,9-12,16H,7-8,13H2,1-5H3/b10-9+,11-6-,15-12+,17-14+
InChIKeySOBQUYUIINKAKG-IBVHBILNSA-N
MW265.40 g/mol
LogP4.27
Rot. Bonds9

About (E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine

(E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine (PubChem CID 139308579) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
PubChem CID139308579
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
SMILESC/C=C\C(=C/C=C/COC)\C(C)=N\OC(CC)CC
InChIInChI=1S/C16H27NO2/c1-6-11-15(12-9-10-13-18-5)14(4)17-19-16(7-2)8-3/h6,9-12,16H,7-8,13H2,1-5H3/b10-9+,11-6-,15-12+,17-14+
InChIKeySOBQUYUIINKAKG-IBVHBILNSA-N
XLogP4.27
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine?
The IUPAC name of (E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine (CID 139308579) is (E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine?
The canonical SMILES for (E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine is C/C=C\C(=C/C=C/COC)\C(C)=N\OC(CC)CC.
What is the InChIKey of (E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine?
The InChIKey is SOBQUYUIINKAKG-IBVHBILNSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-11-15(12-9-10-13-18-5)14(4)17-19-16(7-2)8-3/h6,9-12,16H,7-8,13H2,1-5H3/b10-9+,11-6-,15-12+,17-14+.
What are the key properties of (E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine?
(E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine has a molecular weight of 265.40 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E,5E)-7-methoxy-N-pentan-3-yloxy-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 139308579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).