(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine

C8H16INO — CID 131154609

IUPAC(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CCI)C[C@H](C)O1
InChIInChI=1S/C8H16INO/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyIJBYVMNUYTYZLU-OCAPTIKFSA-N
MW269.13 g/mol
LogP1.53
Rot. Bonds2

About (2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine

(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine (PubChem CID 131154609) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is (2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine
PubChem CID131154609
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CCI)C[C@H](C)O1
InChIInChI=1S/C8H16INO/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyIJBYVMNUYTYZLU-OCAPTIKFSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Butylmorpholine
CID 70499
4-Methyl-4-propylmorpholin-4-ium bromide
CID 13123886
4-Methyl-4-propylmorpholin-4-ium chloride
CID 13123883
rac-(2R,6S)-2,4,6-trimethylmorpholine
CID 23262057
Morpholine, 2,6-dimethyl-4-propyl-
CID 144418
(2R,6S)-2,6-dimethyl-4-propylmorpholine
CID 51655502
4-Ethyl-2,4-dimethylmorpholin-4-ium chloride
CID 13123888
4-Ethyl-2,4-dimethylmorpholin-4-ium bromide
CID 13123890
4-Ethyl-2,6-dimethylmorpholine
CID 19770565
(2R,6S)-4-isobutyl-2,6-dimethylmorpholine
CID 23262062
2,4,4,6-Tetramethylmorpholinium hydroxide
CID 142505316
4-Methyl-4-propylmorpholin-4-ium
CID 421396

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine (CID 131154609) is (2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine is C[C@@H]1CN(CCI)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine?
The InChIKey is IJBYVMNUYTYZLU-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H16INO/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6H2,1-2H3/t7-,8+.
What are the key properties of (2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine has a molecular weight of 269.13 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 131154609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).