(E,E)-N-methoxy-6-methylnon-5-en-2-imine

C11H21NO — CID 20684489

IUPAC(E,E)-N-methoxy-6-methylnon-5-en-2-imine
SMILESCCC/C(C)=C/CC/C(C)=N/OC
InChIInChI=1S/C11H21NO/c1-5-7-10(2)8-6-9-11(3)12-13-4/h8H,5-7,9H2,1-4H3/b10-8+,12-11+
InChIKeyKPXWLAQGGOBYQQ-REVVXPLQSA-N
MW183.29 g/mol
LogP3.54
Rot. Bonds6

About (E,E)-N-methoxy-6-methylnon-5-en-2-imine

(E,E)-N-methoxy-6-methylnon-5-en-2-imine (PubChem CID 20684489) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E,E)-N-methoxy-6-methylnon-5-en-2-imine.

Molecular Properties

Compound Name(E,E)-N-methoxy-6-methylnon-5-en-2-imine
PubChem CID20684489
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E,E)-N-methoxy-6-methylnon-5-en-2-imine
SMILESCCC/C(C)=C/CC/C(C)=N/OC
InChIInChI=1S/C11H21NO/c1-5-7-10(2)8-6-9-11(3)12-13-4/h8H,5-7,9H2,1-4H3/b10-8+,12-11+
InChIKeyKPXWLAQGGOBYQQ-REVVXPLQSA-N
XLogP3.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methoxy-6-methylnon-5-en-2-imine?
The IUPAC name of (E,E)-N-methoxy-6-methylnon-5-en-2-imine (CID 20684489) is (E,E)-N-methoxy-6-methylnon-5-en-2-imine.
What is the SMILES notation for (E,E)-N-methoxy-6-methylnon-5-en-2-imine?
The canonical SMILES for (E,E)-N-methoxy-6-methylnon-5-en-2-imine is CCC/C(C)=C/CC/C(C)=N/OC.
What is the InChIKey of (E,E)-N-methoxy-6-methylnon-5-en-2-imine?
The InChIKey is KPXWLAQGGOBYQQ-REVVXPLQSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-10(2)8-6-9-11(3)12-13-4/h8H,5-7,9H2,1-4H3/b10-8+,12-11+.
What are the key properties of (E,E)-N-methoxy-6-methylnon-5-en-2-imine?
(E,E)-N-methoxy-6-methylnon-5-en-2-imine has a molecular weight of 183.29 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-methoxy-6-methylnon-5-en-2-imine is sourced from PubChem (CID 20684489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).