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

C13H25N3O2 — CID 81217002

IUPAC2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CC(CN)OCC1C)C1CC1
InChIInChI=1S/C13H25N3O2/c1-3-16(11-4-5-11)13(17)8-15-7-12(6-14)18-9-10(15)2/h10-12H,3-9,14H2,1-2H3
InChIKeyIJPHWPHDJBGUDJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.05
Rot. Bonds5

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

2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide (PubChem CID 81217002) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide
PubChem CID81217002
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CC(CN)OCC1C)C1CC1
InChIInChI=1S/C13H25N3O2/c1-3-16(11-4-5-11)13(17)8-15-7-12(6-14)18-9-10(15)2/h10-12H,3-9,14H2,1-2H3
InChIKeyIJPHWPHDJBGUDJ-UHFFFAOYSA-N
XLogP0.05
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81219633
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N,N-dimethylacetamide
CID 81217721
(5-methyl-4-octylmorpholin-2-yl)methanamine
CID 81217426
5-[2-(aminomethyl)-5-methylmorpholin-4-yl]pentan-1-ol
CID 81217514
[4-(cyclobutylmethyl)-5-methylmorpholin-2-yl]methanamine
CID 81218473
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63760499
[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine
CID 104649820
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide
CID 81219149
[5-methyl-4-(2-propoxyethyl)morpholin-2-yl]methanamine
CID 106457949
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63336169
[4-[2-(2-methoxyethoxy)ethyl]-5-methylmorpholin-2-yl]methanamine
CID 81217217

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide (CID 81217002) is 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN1CC(CN)OCC1C)C1CC1.
What is the InChIKey of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is IJPHWPHDJBGUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-16(11-4-5-11)13(17)8-15-7-12(6-14)18-9-10(15)2/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide?
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 255.36 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 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-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 81217002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).