(E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine

C13H23NO — CID 146670112

IUPAC(E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine
SMILESC=C(/C(=C\C(CCC)=N\C)OC)C(C)C
InChIInChI=1S/C13H23NO/c1-7-8-12(14-5)9-13(15-6)11(4)10(2)3/h9-10H,4,7-8H2,1-3,5-6H3/b13-9+,14-12+
InChIKeyJGDWJJIAJKTDEH-IHJNGOQESA-N
MW209.33 g/mol
LogP3.60
Rot. Bonds6

About (E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine

(E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine (PubChem CID 146670112) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine.

Molecular Properties

Compound Name(E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine
PubChem CID146670112
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine
SMILESC=C(/C(=C\C(CCC)=N\C)OC)C(C)C
InChIInChI=1S/C13H23NO/c1-7-8-12(14-5)9-13(15-6)11(4)10(2)3/h9-10H,4,7-8H2,1-3,5-6H3/b13-9+,14-12+
InChIKeyJGDWJJIAJKTDEH-IHJNGOQESA-N
XLogP3.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.60
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine?
The IUPAC name of (E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine (CID 146670112) is (E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine.
What is the SMILES notation for (E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine?
The canonical SMILES for (E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine is C=C(/C(=C\C(CCC)=N\C)OC)C(C)C.
What is the InChIKey of (E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine?
The InChIKey is JGDWJJIAJKTDEH-IHJNGOQESA-N. The full InChI is InChI=1S/C13H23NO/c1-7-8-12(14-5)9-13(15-6)11(4)10(2)3/h9-10H,4,7-8H2,1-3,5-6H3/b13-9+,14-12+.
What are the key properties of (E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine?
(E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine has a molecular weight of 209.33 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine is sourced from PubChem (CID 146670112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).