1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine

C8H16N2O — CID 104961267

IUPAC1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine
SMILES[H]/N=C(\C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C8H16N2O/c1-6-4-10(8(3)9)5-7(2)11-6/h6-7,9H,4-5H2,1-3H3/b9-8+/t6-,7+
InChIKeyIKRHSUWDMBINOF-DHCMRHGXSA-N
MW156.23 g/mol
LogP1.09
Rot. Bonds

About 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine (PubChem CID 104961267) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine
PubChem CID104961267
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine
SMILES[H]/N=C(\C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C8H16N2O/c1-6-4-10(8(3)9)5-7(2)11-6/h6-7,9H,4-5H2,1-3H3/b9-8+/t6-,7+
InChIKeyIKRHSUWDMBINOF-DHCMRHGXSA-N
XLogP1.09
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine (CID 104961267) is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine is [H]/N=C(\C)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine?
The InChIKey is IKRHSUWDMBINOF-DHCMRHGXSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-4-10(8(3)9)5-7(2)11-6/h6-7,9H,4-5H2,1-3H3/b9-8+/t6-,7+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine?
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine has a molecular weight of 156.23 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanimine is sourced from PubChem (CID 104961267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).