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

C7H13NO2 — CID 45083500

IUPAC(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
SMILESC[C@@H]1CN(C=O)C[C@H](C)O1
InChIInChI=1S/C7H13NO2/c1-6-3-8(5-9)4-7(2)10-6/h5-7H,3-4H2,1-2H3/t6-,7+
InChIKeyFTMXVDOMPAZWLQ-KNVOCYPGSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds1

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

(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde (PubChem CID 45083500) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
PubChem CID45083500
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
SMILESC[C@@H]1CN(C=O)C[C@H](C)O1
InChIInChI=1S/C7H13NO2/c1-6-3-8(5-9)4-7(2)10-6/h5-7H,3-4H2,1-2H3/t6-,7+
InChIKeyFTMXVDOMPAZWLQ-KNVOCYPGSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504066
3,4,5-trimethylpiperidine-1-carbaldehyde
CID 143533712
(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde
CID 154158068
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbut-2-en-1-one
CID 52520989
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
ethane;(2S,6R)-2,4,6-trimethylmorpholine
CID 142013694
2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane
CID 143325399
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
CID 28603596
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde?
The IUPAC name of (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde (CID 45083500) is (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde.
What is the SMILES notation for (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde?
The canonical SMILES for (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde is C[C@@H]1CN(C=O)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde?
The InChIKey is FTMXVDOMPAZWLQ-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6-3-8(5-9)4-7(2)10-6/h5-7H,3-4H2,1-2H3/t6-,7+.
What are the key properties of (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde?
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde has a molecular weight of 143.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde is sourced from PubChem (CID 45083500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).