2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal

C10H19NO2 — CID 62278488

IUPAC2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal
SMILESCC1COCCN1CC(C)(C)C=O
InChIInChI=1S/C10H19NO2/c1-9-6-13-5-4-11(9)7-10(2,3)8-12/h8-9H,4-7H2,1-3H3
InChIKeyYNLCWVNCUPQKLI-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds3

About 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal

2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal (PubChem CID 62278488) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal
PubChem CID62278488
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal
SMILESCC1COCCN1CC(C)(C)C=O
InChIInChI=1S/C10H19NO2/c1-9-6-13-5-4-11(9)7-10(2,3)8-12/h8-9H,4-7H2,1-3H3
InChIKeyYNLCWVNCUPQKLI-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate
CID 79623724
3-methyl-4-(2-methyl-2-piperidin-3-ylpropyl)morpholine
CID 83198475
N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine
CID 62257332
2-(ethylamino)-2-methyl-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 64796611
2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide
CID 63911495
2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 55051923
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine
CID 131234743
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
4-[(E)-4-chlorobut-2-enyl]-3-methylmorpholine
CID 64682961
2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide
CID 65250968

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal?
The IUPAC name of 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal (CID 62278488) is 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal?
The canonical SMILES for 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal is CC1COCCN1CC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal?
The InChIKey is YNLCWVNCUPQKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9-6-13-5-4-11(9)7-10(2,3)8-12/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal?
2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal has a molecular weight of 185.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal is sourced from PubChem (CID 62278488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).