1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine

C7H11IN2 — CID 143921119

IUPAC1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine
SMILES[H]/N=C(\C)C1CC=NCC1I
InChIInChI=1S/C7H11IN2/c1-5(9)6-2-3-10-4-7(6)8/h3,6-7,9H,2,4H2,1H3/b9-5+
InChIKeyHMNARESAMKBIFQ-WEVVVXLNSA-N
MW250.08 g/mol
LogP1.92
Rot. Bonds1

About 1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine

1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine (PubChem CID 143921119) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine.

Molecular Properties

Compound Name1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine
PubChem CID143921119
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine
SMILES[H]/N=C(\C)C1CC=NCC1I
InChIInChI=1S/C7H11IN2/c1-5(9)6-2-3-10-4-7(6)8/h3,6-7,9H,2,4H2,1H3/b9-5+
InChIKeyHMNARESAMKBIFQ-WEVVVXLNSA-N
XLogP1.92
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine?
The IUPAC name of 1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine (CID 143921119) is 1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine.
What is the SMILES notation for 1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine?
The canonical SMILES for 1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine is [H]/N=C(\C)C1CC=NCC1I.
What is the InChIKey of 1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine?
The InChIKey is HMNARESAMKBIFQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H11IN2/c1-5(9)6-2-3-10-4-7(6)8/h3,6-7,9H,2,4H2,1H3/b9-5+.
What are the key properties of 1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine?
1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine has a molecular weight of 250.08 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-2,3,4,5-tetrahydropyridin-4-yl)ethanimine is sourced from PubChem (CID 143921119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).