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

C15H30N2O3 — CID 81203626

IUPAC2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one
SMILESCCCC(CN)(CCC)C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C15H30N2O3/c1-4-6-15(11-16,7-5-2)14(19)17-8-13(9-18)20-10-12(17)3/h12-13,18H,4-11,16H2,1-3H3
InChIKeyOHEPJRDANSOMKT-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.14
Rot. Bonds7

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

2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one (PubChem CID 81203626) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one
PubChem CID81203626
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one
SMILESCCCC(CN)(CCC)C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C15H30N2O3/c1-4-6-15(11-16,7-5-2)14(19)17-8-13(9-18)20-10-12(17)3/h12-13,18H,4-11,16H2,1-3H3
InChIKeyOHEPJRDANSOMKT-UHFFFAOYSA-N
XLogP1.14
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl 2-(hydroxymethyl)-5-methylmorpholine-4-carboxylate
CID 81218348
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
(2S)-2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 107146080
ethyl 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3,3-dimethylbutanoate
CID 116538210
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pentanethioamide
CID 81203582
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
CID 81202861
N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
CID 81213883
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one
CID 81203652
N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pentanimidamide
CID 81208282

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one (CID 81203626) is 2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one is CCCC(CN)(CCC)C(=O)N1CC(CO)OCC1C.
What is the InChIKey of 2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one?
The InChIKey is OHEPJRDANSOMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-6-15(11-16,7-5-2)14(19)17-8-13(9-18)20-10-12(17)3/h12-13,18H,4-11,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one?
2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one has a molecular weight of 286.42 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-propylpentan-1-one is sourced from PubChem (CID 81203626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).