1-(oxan-4-yl)ethanimine

C7H13NO — CID 126707160

IUPAC1-(oxan-4-yl)ethanimine
SMILES[H]/N=C(\C)C1CCOCC1
InChIInChI=1S/C7H13NO/c1-6(8)7-2-4-9-5-3-7/h7-8H,2-5H2,1H3/b8-6+
InChIKeyLEJMBUYPVYGXBD-SOFGYWHQSA-N
MW127.19 g/mol
LogP1.45
Rot. Bonds1

About 1-(oxan-4-yl)ethanimine

1-(oxan-4-yl)ethanimine (PubChem CID 126707160) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(oxan-4-yl)ethanimine.

Molecular Properties

Compound Name1-(oxan-4-yl)ethanimine
PubChem CID126707160
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(oxan-4-yl)ethanimine
SMILES[H]/N=C(\C)C1CCOCC1
InChIInChI=1S/C7H13NO/c1-6(8)7-2-4-9-5-3-7/h7-8H,2-5H2,1H3/b8-6+
InChIKeyLEJMBUYPVYGXBD-SOFGYWHQSA-N
XLogP1.45
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)ethanimine?
The IUPAC name of 1-(oxan-4-yl)ethanimine (CID 126707160) is 1-(oxan-4-yl)ethanimine.
What is the SMILES notation for 1-(oxan-4-yl)ethanimine?
The canonical SMILES for 1-(oxan-4-yl)ethanimine is [H]/N=C(\C)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)ethanimine?
The InChIKey is LEJMBUYPVYGXBD-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(8)7-2-4-9-5-3-7/h7-8H,2-5H2,1H3/b8-6+.
What are the key properties of 1-(oxan-4-yl)ethanimine?
1-(oxan-4-yl)ethanimine has a molecular weight of 127.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)ethanimine is sourced from PubChem (CID 126707160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).