1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine

C132H266F10N20O13 — CID 165094054

IUPAC1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)CCCC[C@@H]1CN(CCF)CCO1.CC(C)(C)NCC1CN(C(F)(F)F)CCO1.CC(C)(C)NC[C@@H]1CCOC1.CC(C)(C)NC[C@@H]1CN(C(F)(F)F)CCO1.CC(C)(C)NC[C@@H]1CN(C2CCOCC2)CCO1.CC(C)(C)NC[C@H]1CCOC1.CC(C)(C)NC[C@H]1CN(C(F)(F)F)CCO1.CC(C)(C)NC[C@H]1CN(C2CCOCC2)CCO1.CCN1CCOC(CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCCC(CNC(C)(C)C)C1.CN(C)CC(=O)N1CCC[C@@H](CNC(C)(C)C)C1
InChIInChI=1S/C14H28FNO.2C14H29N3O.2C14H28N2O2.C14H29NO.3C10H19F3N2O.2C9H19NO/c1-14(2,3)7-5-4-6-13-12-16(9-8-15)10-11-17-13;2*1-14(2,3)15-9-12-7-6-8-17(10-12)13(18)11-16(4)5;2*1-14(2,3)15-10-13-11-16(6-9-18-13)12-4-7-17-8-5-12;1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;3*1-9(2,3)14-6-8-7-15(4-5-16-8)10(11,12)13;2*1-9(2,3)10-6-8-4-5-11-7-8/h13H,4-12H2,1-3H3;2*12,15H,6-11H2,1-5H3;2*12-13,15H,4-11H2,1-3H3;13H,5-12H2,1-4H3;3*8,14H,4-7H2,1-3H3;2*8,10H,4-7H2,1-3H3/t13-;12-;;2*13-;;2*8-;;2*8-/m10.10.10.10/s1
InChIKeyXEXBAFRAYSRJHJ-PGPKVPOASA-N
MW2531.69 g/mol
LogP19.04
Rot. Bonds35

About 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine

1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine (PubChem CID 165094054) has the molecular formula C132H266F10N20O13 and a molecular weight of 2531.69 g/mol. Its IUPAC name is 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
PubChem CID165094054
Molecular FormulaC132H266F10N20O13
Molecular Weight2531.69 g/mol
Exact Mass2530.06
IUPAC Name1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)CCCC[C@@H]1CN(CCF)CCO1.CC(C)(C)NCC1CN(C(F)(F)F)CCO1.CC(C)(C)NC[C@@H]1CCOC1.CC(C)(C)NC[C@@H]1CN(C(F)(F)F)CCO1.CC(C)(C)NC[C@@H]1CN(C2CCOCC2)CCO1.CC(C)(C)NC[C@H]1CCOC1.CC(C)(C)NC[C@H]1CN(C(F)(F)F)CCO1.CC(C)(C)NC[C@H]1CN(C2CCOCC2)CCO1.CCN1CCOC(CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCCC(CNC(C)(C)C)C1.CN(C)CC(=O)N1CCC[C@@H](CNC(C)(C)C)C1
InChIInChI=1S/C14H28FNO.2C14H29N3O.2C14H28N2O2.C14H29NO.3C10H19F3N2O.2C9H19NO/c1-14(2,3)7-5-4-6-13-12-16(9-8-15)10-11-17-13;2*1-14(2,3)15-9-12-7-6-8-17(10-12)13(18)11-16(4)5;2*1-14(2,3)15-10-13-11-16(6-9-18-13)12-4-7-17-8-5-12;1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;3*1-9(2,3)14-6-8-7-15(4-5-16-8)10(11,12)13;2*1-9(2,3)10-6-8-4-5-11-7-8/h13H,4-12H2,1-3H3;2*12,15H,6-11H2,1-5H3;2*12-13,15H,4-11H2,1-3H3;13H,5-12H2,1-4H3;3*8,14H,4-7H2,1-3H3;2*8,10H,4-7H2,1-3H3/t13-;12-;;2*13-;;2*8-;;2*8-/m10.10.10.10/s1
InChIKeyXEXBAFRAYSRJHJ-PGPKVPOASA-N
XLogP19.04
TPSA279.58 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002531.69
LogP ≤ 519.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone;1-[2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone;1-[(3R)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(3R)-N-tert-butyloxolan-3-amine;(3S)-N-tert-butyloxolan-3-amine;(2R)-2-(5,5-dimethylhexyl)-4-ethylmorpholine;2-methyl-N-[2-(oxan-3-yl)ethyl]propan-2-amine;2-methyl-N-[[(2R)-4-(oxetan-3-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methyl]propan-2-amine
CID 163593526
1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;N-tert-butyloxolan-3-amine;(2S)-2-(5,5-dimethylhexyl)-4-ethylmorpholine;2-(5,5-dimethylhexyl)-4-ethylmorpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(oxetan-3-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 163700527
1-[(2R)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-(dimethylamino)ethanone;1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone;1-[2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone;1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(3R)-N-tert-butyloxolan-3-amine;(3S)-N-tert-butyloxolan-3-amine;(2R)-2-(5,5-dimethylhexyl)-4-ethylmorpholine;2-methyl-N-[2-(oxan-3-yl)ethyl]propan-2-amine;2-methyl-N-[[(2R)-4-(oxetan-3-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methyl]propan-2-amine
CID 163971058
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone;1-[2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;N-tert-butyloxolan-3-amine;(3R)-N-tert-butyloxolan-3-amine;(3S)-N-tert-butyloxolan-3-amine;(2R)-2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2S)-2-(5,5-dimethylhexyl)-4-ethylmorpholine;2-methyl-N-[2-(oxan-3-yl)ethyl]propan-2-amine;2-methyl-N-[[(2R)-4-(oxetan-3-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(oxetan-3-yl)morpholin-2-yl]methyl]propan-2-amine
CID 165031813
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-(dimethylamino)ethanone;1-[2-[(tert-butylamino)methyl]morpholin-4-yl]-2-(dimethylamino)ethanone;N-tert-butyloxolan-3-amine;(2S)-2-(5,5-dimethylhexyl)-4-ethylmorpholine;2-(5,5-dimethylhexyl)-4-ethylmorpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(oxetan-3-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 165083177
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[2-[3-(tert-butylamino)propyl]morpholin-4-yl]ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;3-(2,2-dimethylpropyl)oxolane;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 165094761
N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]oxane
CID 162177375

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine?
The IUPAC name of 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine (CID 165094054) is 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine is CC(C)(C)CCCC[C@@H]1CN(CCF)CCO1.CC(C)(C)NCC1CN(C(F)(F)F)CCO1.CC(C)(C)NC[C@@H]1CCOC1.CC(C)(C)NC[C@@H]1CN(C(F)(F)F)CCO1.CC(C)(C)NC[C@@H]1CN(C2CCOCC2)CCO1.CC(C)(C)NC[C@H]1CCOC1.CC(C)(C)NC[C@H]1CN(C(F)(F)F)CCO1.CC(C)(C)NC[C@H]1CN(C2CCOCC2)CCO1.CCN1CCOC(CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCCC(CNC(C)(C)C)C1.CN(C)CC(=O)N1CCC[C@@H](CNC(C)(C)C)C1.
What is the InChIKey of 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine?
The InChIKey is XEXBAFRAYSRJHJ-PGPKVPOASA-N. The full InChI is InChI=1S/C14H28FNO.2C14H29N3O.2C14H28N2O2.C14H29NO.3C10H19F3N2O.2C9H19NO/c1-14(2,3)7-5-4-6-13-12-16(9-8-15)10-11-17-13;2*1-14(2,3)15-9-12-7-6-8-17(10-12)13(18)11-16(4)5;2*1-14(2,3)15-10-13-11-16(6-9-18-13)12-4-7-17-8-5-12;1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;3*1-9(2,3)14-6-8-7-15(4-5-16-8)10(11,12)13;2*1-9(2,3)10-6-8-4-5-11-7-8/h13H,4-12H2,1-3H3;2*12,15H,6-11H2,1-5H3;2*12-13,15H,4-11H2,1-3H3;13H,5-12H2,1-4H3;3*8,14H,4-7H2,1-3H3;2*8,10H,4-7H2,1-3H3/t13-;12-;;2*13-;;2*8-;;2*8-/m10.10.10.10/s1.
What are the key properties of 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine?
1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine has a molecular weight of 2531.69 g/mol, XLogP of 19.04, 35 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(5,5-dimethylhexyl)-4-ethylmorpholine;(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine;2-methyl-N-[[(2R)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(oxan-4-yl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(3R)-oxolan-3-yl]methyl]propan-2-amine;2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine;2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 165094054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).