3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one

C15H28N2O2 — CID 55116609

IUPAC3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one
SMILESCCC1CN(C(=O)CCC2CCC(N)CC2)CCO1
InChIInChI=1S/C15H28N2O2/c1-2-14-11-17(9-10-19-14)15(18)8-5-12-3-6-13(16)7-4-12/h12-14H,2-11,16H2,1H3
InChIKeyZRQRBWUYUUFVEY-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds4

About 3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one

3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one (PubChem CID 55116609) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one
PubChem CID55116609
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one
SMILESCCC1CN(C(=O)CCC2CCC(N)CC2)CCO1
InChIInChI=1S/C15H28N2O2/c1-2-14-11-17(9-10-19-14)15(18)8-5-12-3-6-13(16)7-4-12/h12-14H,2-11,16H2,1H3
InChIKeyZRQRBWUYUUFVEY-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 43562953
CID 43562953
3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62968735
(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218405
2-ethylmorpholine-4-carboxylic acid
CID 121455686
1-(2-ethyl-1,4-oxazepan-4-yl)-3-(4-hydroxy-3,3,4-trimethylcyclohexyl)propan-1-one
CID 59393881
3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 55116653
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
(1-aminocyclopropyl)-(2-ethylmorpholin-4-yl)methanone
CID 65466783
1-(2-ethylmorpholin-4-yl)-2-piperazin-1-ylethanone
CID 43563037
4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 63324245
3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66370717

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one (CID 55116609) is 3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one is CCC1CN(C(=O)CCC2CCC(N)CC2)CCO1.
What is the InChIKey of 3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one?
The InChIKey is ZRQRBWUYUUFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-14-11-17(9-10-19-14)15(18)8-5-12-3-6-13(16)7-4-12/h12-14H,2-11,16H2,1H3.
What are the key properties of 3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one?
3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 55116609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).