(E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine

C22H27N3O — CID 89419468

IUPAC(E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine
SMILESC=C(CCc1cccc(C(=C)C)n1)CCc1cccc(/C(C)=N/OC)n1
InChIInChI=1S/C22H27N3O/c1-16(2)21-10-6-8-19(23-21)14-12-17(3)13-15-20-9-7-11-22(24-20)18(4)25-26-5/h6-11H,1,3,12-15H2,2,4-5H3/b25-18+
InChIKeyBFPUNZWFCWGVHE-XIEYBQDHSA-N
MW349.48 g/mol
LogP5.00
Rot. Bonds9

About (E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine

(E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine (PubChem CID 89419468) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine
PubChem CID89419468
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine
SMILESC=C(CCc1cccc(C(=C)C)n1)CCc1cccc(/C(C)=N/OC)n1
InChIInChI=1S/C22H27N3O/c1-16(2)21-10-6-8-19(23-21)14-12-17(3)13-15-20-9-7-11-22(24-20)18(4)25-26-5/h6-11H,1,3,12-15H2,2,4-5H3/b25-18+
InChIKeyBFPUNZWFCWGVHE-XIEYBQDHSA-N
XLogP5.00
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine?
The IUPAC name of (E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine (CID 89419468) is (E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine?
The canonical SMILES for (E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine is C=C(CCc1cccc(C(=C)C)n1)CCc1cccc(/C(C)=N/OC)n1.
What is the InChIKey of (E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine?
The InChIKey is BFPUNZWFCWGVHE-XIEYBQDHSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16(2)21-10-6-8-19(23-21)14-12-17(3)13-15-20-9-7-11-22(24-20)18(4)25-26-5/h6-11H,1,3,12-15H2,2,4-5H3/b25-18+.
What are the key properties of (E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine?
(E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine has a molecular weight of 349.48 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 89419468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).