(3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride

C13H25ClN2O2 — CID 119703676

IUPAC(3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride
SMILESCCC1CN(C(=O)C2CCCC(N)C2)CCO1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-2-12-9-15(6-7-17-12)13(16)10-4-3-5-11(14)8-10;/h10-12H,2-9,14H2,1H3;1H
InChIKeyXTMCFJIKSDWFGA-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.56
Rot. Bonds2

About (3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride

(3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 119703676) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride
PubChem CID119703676
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name(3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride
SMILESCCC1CN(C(=O)C2CCCC(N)C2)CCO1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-2-12-9-15(6-7-17-12)13(16)10-4-3-5-11(14)8-10;/h10-12H,2-9,14H2,1H3;1H
InChIKeyXTMCFJIKSDWFGA-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218405
(3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881058
[(1R,3S)-3-aminocyclohexyl]-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 125153639
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
(3-amino-2-methylcyclohexyl)-(2-ethylmorpholin-4-yl)methanone
CID 62781194
(3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603764
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone;hydrochloride
CID 120993071
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 43562559

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride (CID 119703676) is (3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride is CCC1CN(C(=O)C2CCCC(N)C2)CCO1.Cl.
What is the InChIKey of (3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is XTMCFJIKSDWFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-2-12-9-15(6-7-17-12)13(16)10-4-3-5-11(14)8-10;/h10-12H,2-9,14H2,1H3;1H.
What are the key properties of (3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride?
(3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119703676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).