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

C115H230F6N18O14 — CID 163593526

About 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

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 (PubChem CID 163593526) has the molecular formula C115H230F6N18O14 and a molecular weight of 2203.20 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 163593526
• Molecular Formula: C115H230F6N18O14
• Molecular Weight: 2203.20 g/mol
• Exact Mass: 2201.77
• IUPAC Name: 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
• SMILES: CC(C)(C)NCC1CN(C(=O)C(F)(F)F)CCO1.CC(C)(C)NCCC1CCCOC1.CC(C)(C)NC[C@@H]1CN(C2COC2)CCO1.CC(C)(C)NC[C@H]1CN(C(=O)C(F)(F)F)CCO1.CC(C)(C)NC[C@H]1CN(C2COC2)CCO1.CC(C)(C)N[C@@H]1CCOC1.CC(C)(C)N[C@H]1CCOC1.CCN1CCO[C@H](CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCC(CNC(C)(C)C)CC1.CN(C)CC(=O)N1CCC[C@H](CNC(C)(C)C)C1
• InChI: InChI=1S/2C14H29N3O.C14H29NO.2C12H24N2O2.2C11H19F3N2O2.C11H23NO.2C8H17NO/c1-14(2,3)15-10-12-6-8-17(9-7-12)13(18)11-16(4)5;1-14(2,3)15-9-12-7-6-8-17(10-12)13(18)11-16(4)5;1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;2*1-12(2,3)13-6-11-7-14(4-5-16-11)10-8-15-9-10;2*1-10(2,3)15-6-8-7-16(4-5-18-8)9(17)11(12,13)14;1-11(2,3)12-7-6-10-5-4-8-13-9-10;2*1-8(2,3)9-7-4-5-10-6-7/h2*12,15H,6-11H2,1-5H3;13H,5-12H2,1-4H3;2*10-11,13H,4-9H2,1-3H3;2*8,15H,4-7H2,1-3H3;10,12H,4-9H2,1-3H3;2*7,9H,4-6H2,1-3H3/t;12-;13-;2*11-;8-;;;2*7-/m.11100..10/s1
• InChIKey: GRNGRVYMWYSRMM-ZWFWDVLHSA-N
• XLogP: 13.46
• TPSA: 298.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2203.20
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)NCC1CN(C(=O)C(F)(F)F)CCO1.CC(C)(C)NCCC1CCCOC1.CC(C)(C)NC[C@@H]1CN(C2COC2)CCO1.CC(C)(C)NC[C@H]1CN(C(=O)C(F)(F)F)CCO1.CC(C)(C)NC[C@H]1CN(C2COC2)CCO1.CC(C)(C)N[C@@H]1CCOC1.CC(C)(C)N[C@H]1CCOC1.CCN1CCO[C@H](CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCC(CNC(C)(C)C)CC1.CN(C)CC(=O)N1CCC[C@H](CNC(C)(C)C)C1.

What is the InChIKey of 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?

The InChIKey is GRNGRVYMWYSRMM-ZWFWDVLHSA-N. The full InChI is InChI=1S/2C14H29N3O.C14H29NO.2C12H24N2O2.2C11H19F3N2O2.C11H23NO.2C8H17NO/c1-14(2,3)15-10-12-6-8-17(9-7-12)13(18)11-16(4)5;1-14(2,3)15-9-12-7-6-8-17(10-12)13(18)11-16(4)5;1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;2*1-12(2,3)13-6-11-7-14(4-5-16-11)10-8-15-9-10;2*1-10(2,3)15-6-8-7-16(4-5-18-8)9(17)11(12,13)14;1-11(2,3)12-7-6-10-5-4-8-13-9-10;2*1-8(2,3)9-7-4-5-10-6-7/h2*12,15H,6-11H2,1-5H3;13H,5-12H2,1-4H3;2*10-11,13H,4-9H2,1-3H3;2*8,15H,4-7H2,1-3H3;10,12H,4-9H2,1-3H3;2*7,9H,4-6H2,1-3H3/t;12-;13-;2*11-;8-;;;2*7-/m.11100..10/s1.

What are the key properties of 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?

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 has a molecular weight of 2203.20 g/mol, XLogP of 13.46, 28 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 163593526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).