2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one

C12H24N2O3 — CID 102932547

IUPAC2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C12H24N2O3/c1-3-4-5-11(13)12(16)14-6-9(2)17-10(7-14)8-15/h9-11,15H,3-8,13H2,1-2H3
InChIKeySDRWCTLVVKMYGK-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.11
Rot. Bonds5

About 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one

2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one (PubChem CID 102932547) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
PubChem CID102932547
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C12H24N2O3/c1-3-4-5-11(13)12(16)14-6-9(2)17-10(7-14)8-15/h9-11,15H,3-8,13H2,1-2H3
InChIKeySDRWCTLVVKMYGK-UHFFFAOYSA-N
XLogP0.11
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
CID 102932507
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpentan-1-one
CID 102932545
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one
CID 102932657
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119261693
(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
CID 102932602
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102934611
5-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpentan-1-one
CID 102932727
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]hexan-1-one
CID 81465315
(2S)-2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 107146080

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one (CID 102932547) is 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one is CCCCC(N)C(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one?
The InChIKey is SDRWCTLVVKMYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-4-5-11(13)12(16)14-6-9(2)17-10(7-14)8-15/h9-11,15H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one?
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one has a molecular weight of 244.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one is sourced from PubChem (CID 102932547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).