(E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine

C9H17NO — CID 123231999

IUPAC(E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine
SMILESCC/N=C(C)/C=C(\C)COC
InChIInChI=1S/C9H17NO/c1-5-10-9(3)6-8(2)7-11-4/h6H,5,7H2,1-4H3/b8-6+,10-9+
InChIKeyOWHLWEIGLSPPLQ-QGHYKFKQSA-N
MW155.24 g/mol
LogP2.06
Rot. Bonds4

About (E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine

(E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine (PubChem CID 123231999) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine
PubChem CID123231999
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine
SMILESCC/N=C(C)/C=C(\C)COC
InChIInChI=1S/C9H17NO/c1-5-10-9(3)6-8(2)7-11-4/h6H,5,7H2,1-4H3/b8-6+,10-9+
InChIKeyOWHLWEIGLSPPLQ-QGHYKFKQSA-N
XLogP2.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine?
The IUPAC name of (E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine (CID 123231999) is (E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine?
The canonical SMILES for (E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine is CC/N=C(C)/C=C(\C)COC.
What is the InChIKey of (E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine?
The InChIKey is OWHLWEIGLSPPLQ-QGHYKFKQSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-10-9(3)6-8(2)7-11-4/h6H,5,7H2,1-4H3/b8-6+,10-9+.
What are the key properties of (E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine?
(E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine has a molecular weight of 155.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-5-methoxy-4-methylpent-3-en-2-imine is sourced from PubChem (CID 123231999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).