1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one

C12H24N2O2 — CID 81211868

IUPAC1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one
SMILESCCCCCC(=O)N1CC(CN)OCC1C
InChIInChI=1S/C12H24N2O2/c1-3-4-5-6-12(15)14-8-11(7-13)16-9-10(14)2/h10-11H,3-9,13H2,1-2H3
InChIKeyYBQDBEJGSYZGLJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds5

About 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one

1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one (PubChem CID 81211868) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one
PubChem CID81211868
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one
SMILESCCCCCC(=O)N1CC(CN)OCC1C
InChIInChI=1S/C12H24N2O2/c1-3-4-5-6-12(15)14-8-11(7-13)16-9-10(14)2/h10-11H,3-9,13H2,1-2H3
InChIKeyYBQDBEJGSYZGLJ-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
CID 110643995
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
(5-methyl-4-octylmorpholin-2-yl)methanamine
CID 81217426
1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one
CID 83151811
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81209141
(2S)-2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 107146080
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212515
2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
CID 81217697
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
CID 81202861
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide
CID 81217216

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one (CID 81211868) is 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one is CCCCCC(=O)N1CC(CN)OCC1C.
What is the InChIKey of 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one?
The InChIKey is YBQDBEJGSYZGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-5-6-12(15)14-8-11(7-13)16-9-10(14)2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one?
1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one is sourced from PubChem (CID 81211868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).