2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide

C12H25N3O3 — CID 81218040

IUPAC2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CC(CN)OCC1C
InChIInChI=1S/C12H25N3O3/c1-9-8-18-11(6-13)7-15(9)10(2)12(16)14-4-5-17-3/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyGADRFUTVQZWMMK-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.81
Rot. Bonds6

About 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide

2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 81218040) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID81218040
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CC(CN)OCC1C
InChIInChI=1S/C12H25N3O3/c1-9-8-18-11(6-13)7-15(9)10(2)12(16)14-4-5-17-3/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyGADRFUTVQZWMMK-UHFFFAOYSA-N
XLogP-0.81
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide
CID 81217224
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-methylpropanamide
CID 81216899
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 81217822
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclohexylpropanamide
CID 81217117
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63760320
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide
CID 81217216
[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine
CID 104649820
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81219393
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63759350
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide
CID 66209506
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
(3S,4S)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086295

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide (CID 81218040) is 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N1CC(CN)OCC1C.
What is the InChIKey of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is GADRFUTVQZWMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-9-8-18-11(6-13)7-15(9)10(2)12(16)14-4-5-17-3/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide?
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 259.35 g/mol, XLogP of -0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 81218040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).