2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone

C16H30N2O2 — CID 102746252

IUPAC2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(C(=O)CC2CCCC(N)C2)CC(C)(C)O1
InChIInChI=1S/C16H30N2O2/c1-15(2)10-18(11-16(3,4)20-15)14(19)9-12-6-5-7-13(17)8-12/h12-13H,5-11,17H2,1-4H3
InChIKeyRNHHEOCESUNUJK-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.31
Rot. Bonds2

About 2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone

2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone (PubChem CID 102746252) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
PubChem CID102746252
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(C(=O)CC2CCCC(N)C2)CC(C)(C)O1
InChIInChI=1S/C16H30N2O2/c1-15(2)10-18(11-16(3,4)20-15)14(19)9-12-6-5-7-13(17)8-12/h12-13H,5-11,17H2,1-4H3
InChIKeyRNHHEOCESUNUJK-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone (CID 102746252) is 2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone is CC1(C)CN(C(=O)CC2CCCC(N)C2)CC(C)(C)O1.
What is the InChIKey of 2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone?
The InChIKey is RNHHEOCESUNUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2)10-18(11-16(3,4)20-15)14(19)9-12-6-5-7-13(17)8-12/h12-13H,5-11,17H2,1-4H3.
What are the key properties of 2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone?
2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone has a molecular weight of 282.43 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 102746252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).