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

C7H12N2O — CID 14326945

IUPAC(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine
SMILESCO/N=C/C1=CCNCC1
InChIInChI=1S/C7H12N2O/c1-10-9-6-7-2-4-8-5-3-7/h2,6,8H,3-5H2,1H3/b9-6+
InChIKeyPDCBIOHYQKIGEX-RMKNXTFCSA-N
MW140.19 g/mol
LogP0.54
Rot. Bonds2

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

(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine (PubChem CID 14326945) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine
PubChem CID14326945
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine
SMILESCO/N=C/C1=CCNCC1
InChIInChI=1S/C7H12N2O/c1-10-9-6-7-2-4-8-5-3-7/h2,6,8H,3-5H2,1H3/b9-6+
InChIKeyPDCBIOHYQKIGEX-RMKNXTFCSA-N
XLogP0.54
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.54
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)methanimine?
The IUPAC name of (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine (CID 14326945) is (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine.
What is the SMILES notation for (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The canonical SMILES for (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine is CO/N=C/C1=CCNCC1.
What is the InChIKey of (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The InChIKey is PDCBIOHYQKIGEX-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-9-6-7-2-4-8-5-3-7/h2,6,8H,3-5H2,1H3/b9-6+.
What are the key properties of (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine?
(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine has a molecular weight of 140.19 g/mol, XLogP of 0.54, 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)methanimine is sourced from PubChem (CID 14326945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).