(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine

C9H16N2O — CID 15598793

IUPAC(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
SMILESCO/N=C(\C)C1=CCCN(C)C1
InChIInChI=1S/C9H16N2O/c1-8(10-12-3)9-5-4-6-11(2)7-9/h5H,4,6-7H2,1-3H3/b10-8+
InChIKeyFYEWKYFVWIOKDK-CSKARUKUSA-N
MW168.24 g/mol
LogP1.27
Rot. Bonds2

About (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine

(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine (PubChem CID 15598793) 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-5-yl)ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
PubChem CID15598793
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
SMILESCO/N=C(\C)C1=CCCN(C)C1
InChIInChI=1S/C9H16N2O/c1-8(10-12-3)9-5-4-6-11(2)7-9/h5H,4,6-7H2,1-3H3/b10-8+
InChIKeyFYEWKYFVWIOKDK-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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Related Compounds

Milameline
CID 9571002
(5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide
CID 44210177
(Z)-2-fluoro-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 44210183
3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-ethyl-, O-methyloxime, monohydrochloride, (E)-
CID 9588731
3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(1-methylethyl)-, O-methyloxime, monohydrochloride, (E)-
CID 9588735
(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)ethanimine
CID 14326935
(Z)-N-Methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine
CID 6435812
(5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride
CID 10197899
(5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide
CID 18960962
(5Z)-1-ethyl-N-methoxy-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide
CID 44368599
(5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride
CID 44368679
(Z)-2,2,2-trifluoro-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 44210179

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The IUPAC name of (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine (CID 15598793) is (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The canonical SMILES for (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine is CO/N=C(\C)C1=CCCN(C)C1.
What is the InChIKey of (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The InChIKey is FYEWKYFVWIOKDK-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(10-12-3)9-5-4-6-11(2)7-9/h5H,4,6-7H2,1-3H3/b10-8+.
What are the key properties of (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-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-5-yl)ethanimine is sourced from PubChem (CID 15598793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).