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

C14H26N2O2 — CID 62776851

IUPAC2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CC2CCCC(N)C2)CC(C)O1
InChIInChI=1S/C14H26N2O2/c1-10-8-16(9-11(2)18-10)14(17)7-12-4-3-5-13(15)6-12/h10-13H,3-9,15H2,1-2H3
InChIKeyYBGABGYANSREQT-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds2

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

2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 62776851) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID62776851
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CC2CCCC(N)C2)CC(C)O1
InChIInChI=1S/C14H26N2O2/c1-10-8-16(9-11(2)18-10)14(17)7-12-4-3-5-13(15)6-12/h10-13H,3-9,15H2,1-2H3
InChIKeyYBGABGYANSREQT-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
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-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 62776851) is 2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CC2CCCC(N)C2)CC(C)O1.
What is the InChIKey of 2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is YBGABGYANSREQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-8-16(9-11(2)18-10)14(17)7-12-4-3-5-13(15)6-12/h10-13H,3-9,15H2,1-2H3.
What are the key properties of 2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.53, 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-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 62776851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).