[(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone

C13H24N2O2 — CID 94594163

IUPAC[(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](N)C2)[C@H](C)CO1
InChIInChI=1S/C13H24N2O2/c1-9-8-17-10(2)7-15(9)13(16)11-4-3-5-12(14)6-11/h9-12H,3-8,14H2,1-2H3/t9-,10-,11-,12+/m1/s1
InChIKeyNSLQYSKWKOSMSS-KKOKHZNYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds1

About [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone

[(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone (PubChem CID 94594163) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone
PubChem CID94594163
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](N)C2)[C@H](C)CO1
InChIInChI=1S/C13H24N2O2/c1-9-8-17-10(2)7-15(9)13(16)11-4-3-5-12(14)6-11/h9-12H,3-8,14H2,1-2H3/t9-,10-,11-,12+/m1/s1
InChIKeyNSLQYSKWKOSMSS-KKOKHZNYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

cyclobutyl-(2,5-dimethylmorpholin-4-yl)methanone
CID 110727653
(2,5-dimethylmorpholin-4-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119292459
(2,5-dimethylmorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795429
(4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 102628392
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 95157279
(3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 119784899
(2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102944408
1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107022948
1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone
CID 103515326
[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 124866912
[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147083
[(1R,3R)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147082

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone (CID 94594163) is [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](N)C2)[C@H](C)CO1.
What is the InChIKey of [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone?
The InChIKey is NSLQYSKWKOSMSS-KKOKHZNYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-8-17-10(2)7-15(9)13(16)11-4-3-5-12(14)6-11/h9-12H,3-8,14H2,1-2H3/t9-,10-,11-,12+/m1/s1.
What are the key properties of [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone?
[(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 94594163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).