(E,E)-N-methoxyoct-3-en-2-imine

C9H17NO — CID 5371495

IUPAC(E,E)-N-methoxyoct-3-en-2-imine
SMILESCCCC/C=C/C(C)=N/OC
InChIInChI=1S/C9H17NO/c1-4-5-6-7-8-9(2)10-11-3/h7-8H,4-6H2,1-3H3/b8-7+,10-9+
InChIKeyRBXBVBAMTFYWDL-XBLVEGMJSA-N
MW155.24 g/mol
LogP2.76
Rot. Bonds5

About (E,E)-N-methoxyoct-3-en-2-imine

(E,E)-N-methoxyoct-3-en-2-imine (PubChem CID 5371495) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E,E)-N-methoxyoct-3-en-2-imine.

Molecular Properties

Compound Name(E,E)-N-methoxyoct-3-en-2-imine
PubChem CID5371495
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E,E)-N-methoxyoct-3-en-2-imine
SMILESCCCC/C=C/C(C)=N/OC
InChIInChI=1S/C9H17NO/c1-4-5-6-7-8-9(2)10-11-3/h7-8H,4-6H2,1-3H3/b8-7+,10-9+
InChIKeyRBXBVBAMTFYWDL-XBLVEGMJSA-N
XLogP2.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,E)-N-methoxyoct-3-en-2-imine?
The IUPAC name of (E,E)-N-methoxyoct-3-en-2-imine (CID 5371495) is (E,E)-N-methoxyoct-3-en-2-imine.
What is the SMILES notation for (E,E)-N-methoxyoct-3-en-2-imine?
The canonical SMILES for (E,E)-N-methoxyoct-3-en-2-imine is CCCC/C=C/C(C)=N/OC.
What is the InChIKey of (E,E)-N-methoxyoct-3-en-2-imine?
The InChIKey is RBXBVBAMTFYWDL-XBLVEGMJSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-7-8-9(2)10-11-3/h7-8H,4-6H2,1-3H3/b8-7+,10-9+.
What are the key properties of (E,E)-N-methoxyoct-3-en-2-imine?
(E,E)-N-methoxyoct-3-en-2-imine has a molecular weight of 155.24 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-methoxyoct-3-en-2-imine is sourced from PubChem (CID 5371495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).