(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine

C9H16N2O — CID 14326939

IUPAC(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
SMILESCO/N=C(\C)C1=CCN(C)CC1
InChIInChI=1S/C9H16N2O/c1-8(10-12-3)9-4-6-11(2)7-5-9/h4H,5-7H2,1-3H3/b10-8+
InChIKeyOCNWVMZTDVMVKK-CSKARUKUSA-N
MW168.24 g/mol
LogP1.27
Rot. Bonds2

About (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine

(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine (PubChem CID 14326939) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
PubChem CID14326939
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
SMILESCO/N=C(\C)C1=CCN(C)CC1
InChIInChI=1S/C9H16N2O/c1-8(10-12-3)9-4-6-11(2)7-5-9/h4H,5-7H2,1-3H3/b10-8+
InChIKeyOCNWVMZTDVMVKK-CSKARUKUSA-N
XLogP1.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
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-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine?
The IUPAC name of (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine (CID 14326939) is (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine?
The canonical SMILES for (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine is CO/N=C(\C)C1=CCN(C)CC1.
What is the InChIKey of (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine?
The InChIKey is OCNWVMZTDVMVKK-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(10-12-3)9-4-6-11(2)7-5-9/h4H,5-7H2,1-3H3/b10-8+.
What are the key properties of (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine?
(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine has a molecular weight of 168.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine is sourced from PubChem (CID 14326939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).