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

C11H23N3O2 — CID 81217224

IUPAC2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1CC(CN)OCC1C
InChIInChI=1S/C11H23N3O2/c1-4-13-11(15)9(3)14-6-10(5-12)16-7-8(14)2/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyDNGZPZIHSMVSNJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.44
Rot. Bonds4

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

2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide (PubChem CID 81217224) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide
PubChem CID81217224
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1CC(CN)OCC1C
InChIInChI=1S/C11H23N3O2/c1-4-13-11(15)9(3)14-6-10(5-12)16-7-8(14)2/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyDNGZPZIHSMVSNJ-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide (CID 81217224) is 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide is CCNC(=O)C(C)N1CC(CN)OCC1C.
What is the InChIKey of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide?
The InChIKey is DNGZPZIHSMVSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-13-11(15)9(3)14-6-10(5-12)16-7-8(14)2/h8-10H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide?
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide has a molecular weight of 229.32 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-ethylpropanamide is sourced from PubChem (CID 81217224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).