(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C12H22N2O2 — CID 104958585

IUPAC(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CCC(N)C2)C[C@H](C)O1
InChIInChI=1S/C12H22N2O2/c1-8-6-14(7-9(2)16-8)12(15)10-3-4-11(13)5-10/h8-11H,3-7,13H2,1-2H3/t8-,9+,10?,11?
InChIKeyCAHOPMORROQYFW-IXBNRNDTSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds1

About (3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 104958585) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID104958585
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CCC(N)C2)C[C@H](C)O1
InChIInChI=1S/C12H22N2O2/c1-8-6-14(7-9(2)16-8)12(15)10-3-4-11(13)5-10/h8-11H,3-7,13H2,1-2H3/t8-,9+,10?,11?
InChIKeyCAHOPMORROQYFW-IXBNRNDTSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536713
(3-aminocyclopentyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217532
(3-aminocyclopentyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464820
(3-aminocyclopentyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone
CID 119810914
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(3-aminocyclopentyl)methanone;hydrochloride
CID 119803627
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
[2-(aminomethyl)-6-methylmorpholin-4-yl]-cyclopropylmethanone
CID 102938416

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 104958585) is (3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)C2CCC(N)C2)C[C@H](C)O1.
What is the InChIKey of (3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is CAHOPMORROQYFW-IXBNRNDTSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-6-14(7-9(2)16-8)12(15)10-3-4-11(13)5-10/h8-11H,3-7,13H2,1-2H3/t8-,9+,10?,11?.
What are the key properties of (3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 104958585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).