2,2,6,6-tetramethylmorpholine-4-carbaldehyde

C9H17NO2 — CID 102746370

IUPAC2,2,6,6-tetramethylmorpholine-4-carbaldehyde
SMILESCC1(C)CN(C=O)CC(C)(C)O1
InChIInChI=1S/C9H17NO2/c1-8(2)5-10(7-11)6-9(3,4)12-8/h7H,5-6H2,1-4H3
InChIKeyXHJJAVZHZKGUNQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds1

About 2,2,6,6-tetramethylmorpholine-4-carbaldehyde

2,2,6,6-tetramethylmorpholine-4-carbaldehyde (PubChem CID 102746370) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,2,6,6-tetramethylmorpholine-4-carbaldehyde.

Molecular Properties

Compound Name2,2,6,6-tetramethylmorpholine-4-carbaldehyde
PubChem CID102746370
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2,2,6,6-tetramethylmorpholine-4-carbaldehyde
SMILESCC1(C)CN(C=O)CC(C)(C)O1
InChIInChI=1S/C9H17NO2/c1-8(2)5-10(7-11)6-9(3,4)12-8/h7H,5-6H2,1-4H3
InChIKeyXHJJAVZHZKGUNQ-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
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

(1R,5S)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carbaldehyde
CID 38999805
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CID 176798064
3,3-difluoroazetidine-1-carbaldehyde
CID 87323503
1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde
CID 141388788
6-propan-2-yl-2-azaspiro[3.3]heptane-2-carbaldehyde
CID 166968893
3-hydroxy-3-methylpyrrolidine-1-carbaldehyde
CID 103357524
3-fluoro-3-methylpyrrolidine-1-carbaldehyde
CID 143837055
ethane;2,2,6,6-tetramethyl-4-propan-2-ylmorpholine
CID 178173229
2,2-dimethylthiomorpholine-4-carbaldehyde
CID 19848530
3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde
CID 138711698
2,2,6,6-tetramethylmorpholine-4-carbohydrazide
CID 102745077
2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 107905897

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethylmorpholine-4-carbaldehyde?
The IUPAC name of 2,2,6,6-tetramethylmorpholine-4-carbaldehyde (CID 102746370) is 2,2,6,6-tetramethylmorpholine-4-carbaldehyde.
What is the SMILES notation for 2,2,6,6-tetramethylmorpholine-4-carbaldehyde?
The canonical SMILES for 2,2,6,6-tetramethylmorpholine-4-carbaldehyde is CC1(C)CN(C=O)CC(C)(C)O1.
What is the InChIKey of 2,2,6,6-tetramethylmorpholine-4-carbaldehyde?
The InChIKey is XHJJAVZHZKGUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)5-10(7-11)6-9(3,4)12-8/h7H,5-6H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethylmorpholine-4-carbaldehyde?
2,2,6,6-tetramethylmorpholine-4-carbaldehyde has a molecular weight of 171.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylmorpholine-4-carbaldehyde is sourced from PubChem (CID 102746370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).