2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

C15H28N2O3 — CID 114776775

IUPAC2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCC1(C)CN(C(=O)CC2(N)CCCCC2)CC(CO)O1
InChIInChI=1S/C15H28N2O3/c1-14(2)11-17(9-12(10-18)20-14)13(19)8-15(16)6-4-3-5-7-15/h12,18H,3-11,16H2,1-2H3
InChIKeyBCXMOGVBYUGIIT-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.04
Rot. Bonds3

About 2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (PubChem CID 114776775) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
PubChem CID114776775
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCC1(C)CN(C(=O)CC2(N)CCCCC2)CC(CO)O1
InChIInChI=1S/C15H28N2O3/c1-14(2)11-17(9-12(10-18)20-14)13(19)8-15(16)6-4-3-5-7-15/h12,18H,3-11,16H2,1-2H3
InChIKeyBCXMOGVBYUGIIT-UHFFFAOYSA-N
XLogP1.04
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557199
[1-(aminomethyl)cyclopentyl]-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776550
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
CID 114778946
3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
CID 114776669
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 114778309
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 114778295
3-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 114778938
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114778648
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 114778269
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (CID 114776775) is 2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is CC1(C)CN(C(=O)CC2(N)CCCCC2)CC(CO)O1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The InChIKey is BCXMOGVBYUGIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2)11-17(9-12(10-18)20-14)13(19)8-15(16)6-4-3-5-7-15/h12,18H,3-11,16H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone has a molecular weight of 284.40 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 114776775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).