3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one

C14H28N2O3 — CID 114776669

IUPAC3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
SMILESCC1(C)CN(C(=O)CC(N)C(C)(C)C)CC(CO)O1
InChIInChI=1S/C14H28N2O3/c1-13(2,3)11(15)6-12(18)16-7-10(8-17)19-14(4,5)9-16/h10-11,17H,6-9,15H2,1-5H3
InChIKeyNRWPMFNKJBOBIJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.75
Rot. Bonds3

About 3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one

3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one (PubChem CID 114776669) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
PubChem CID114776669
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
SMILESCC1(C)CN(C(=O)CC(N)C(C)(C)C)CC(CO)O1
InChIInChI=1S/C14H28N2O3/c1-13(2,3)11(15)6-12(18)16-7-10(8-17)19-14(4,5)9-16/h10-11,17H,6-9,15H2,1-5H3
InChIKeyNRWPMFNKJBOBIJ-UHFFFAOYSA-N
XLogP0.75
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114776775
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
CID 114778946
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811
3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one
CID 107219373
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557199
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 114776678
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
CID 114777599
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide
CID 104969920
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 114778269
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 104969794

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one?
The IUPAC name of 3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one (CID 114776669) is 3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one.
What is the SMILES notation for 3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one?
The canonical SMILES for 3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one is CC1(C)CN(C(=O)CC(N)C(C)(C)C)CC(CO)O1.
What is the InChIKey of 3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one?
The InChIKey is NRWPMFNKJBOBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(2,3)11(15)6-12(18)16-7-10(8-17)19-14(4,5)9-16/h10-11,17H,6-9,15H2,1-5H3.
What are the key properties of 3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one?
3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one has a molecular weight of 272.39 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one is sourced from PubChem (CID 114776669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).