1-(4-methyloxan-2-yl)ethanimine

C8H15NO — CID 163540669

IUPAC1-(4-methyloxan-2-yl)ethanimine
SMILES[H]/N=C(\C)C1CC(C)CCO1
InChIInChI=1S/C8H15NO/c1-6-3-4-10-8(5-6)7(2)9/h6,8-9H,3-5H2,1-2H3/b9-7+
InChIKeyFAVMCAYRJYCZDB-VQHVLOKHSA-N
MW141.21 g/mol
LogP1.84
Rot. Bonds1

About 1-(4-methyloxan-2-yl)ethanimine

1-(4-methyloxan-2-yl)ethanimine (PubChem CID 163540669) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(4-methyloxan-2-yl)ethanimine.

Molecular Properties

Compound Name1-(4-methyloxan-2-yl)ethanimine
PubChem CID163540669
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(4-methyloxan-2-yl)ethanimine
SMILES[H]/N=C(\C)C1CC(C)CCO1
InChIInChI=1S/C8H15NO/c1-6-3-4-10-8(5-6)7(2)9/h6,8-9H,3-5H2,1-2H3/b9-7+
InChIKeyFAVMCAYRJYCZDB-VQHVLOKHSA-N
XLogP1.84
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.84
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-(4-methyloxan-2-yl)ethanimine?
The IUPAC name of 1-(4-methyloxan-2-yl)ethanimine (CID 163540669) is 1-(4-methyloxan-2-yl)ethanimine.
What is the SMILES notation for 1-(4-methyloxan-2-yl)ethanimine?
The canonical SMILES for 1-(4-methyloxan-2-yl)ethanimine is [H]/N=C(\C)C1CC(C)CCO1.
What is the InChIKey of 1-(4-methyloxan-2-yl)ethanimine?
The InChIKey is FAVMCAYRJYCZDB-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-3-4-10-8(5-6)7(2)9/h6,8-9H,3-5H2,1-2H3/b9-7+.
What are the key properties of 1-(4-methyloxan-2-yl)ethanimine?
1-(4-methyloxan-2-yl)ethanimine has a molecular weight of 141.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloxan-2-yl)ethanimine is sourced from PubChem (CID 163540669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).