(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine

C8H14N2O — CID 14326941

IUPAC(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine
SMILESCO/N=C(\C)C1=CCNCC1
InChIInChI=1S/C8H14N2O/c1-7(10-11-2)8-3-5-9-6-4-8/h3,9H,4-6H2,1-2H3/b10-7+
InChIKeyCXJXHZCZWSTORD-JXMROGBWSA-N
MW154.21 g/mol
LogP0.93
Rot. Bonds2

About (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine

(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine (PubChem CID 14326941) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine
PubChem CID14326941
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine
SMILESCO/N=C(\C)C1=CCNCC1
InChIInChI=1S/C8H14N2O/c1-7(10-11-2)8-3-5-9-6-4-8/h3,9H,4-6H2,1-2H3/b10-7+
InChIKeyCXJXHZCZWSTORD-JXMROGBWSA-N
XLogP0.93
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
The IUPAC name of (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine (CID 14326941) is (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
The canonical SMILES for (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine is CO/N=C(\C)C1=CCNCC1.
What is the InChIKey of (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
The InChIKey is CXJXHZCZWSTORD-JXMROGBWSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(10-11-2)8-3-5-9-6-4-8/h3,9H,4-6H2,1-2H3/b10-7+.
What are the key properties of (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine has a molecular weight of 154.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine is sourced from PubChem (CID 14326941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).