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

C117H238F6N18O14 — CID 165083177

IUPAC1-[(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
SMILESCC(C)(C)NC1CCOC1.CC(C)(C)NCC1CN(C2COC2)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]1CN(C(F)(F)F)CCO1.CCN1CCOC(CCCCC(C)(C)C)C1.CCN1CCO[C@@H](CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCOC(CNC(C)(C)C)C1.CN(C)CC(=O)N1CCO[C@@H](CNC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2.2C14H29NO.2C13H27N3O2.C12H24N2O2.2C10H19F3N2O.C9H19NO.C8H17NO/c1-14(2,3)15-10-13-11-16(6-9-18-13)12-4-7-17-8-5-12;2*1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;2*1-13(2,3)14-8-11-9-16(6-7-18-11)12(17)10-15(4)5;1-12(2,3)13-6-11-7-14(4-5-16-11)10-8-15-9-10;2*1-9(2,3)14-6-8-7-15(4-5-16-8)10(11,12)13;1-9(2,3)10-6-8-4-5-11-7-8;1-8(2,3)9-7-4-5-10-6-7/h12-13,15H,4-11H2,1-3H3;2*13H,5-12H2,1-4H3;2*11,14H,6-10H2,1-5H3;10-11,13H,4-9H2,1-3H3;2*8,14H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3/t2*13-;;11-;;;3*8-;/m10.0..100./s1
InChIKeyVLMMLOAGTQSVMZ-XBASVKHISA-N
MW2235.29 g/mol
LogP14.45
Rot. Bonds31

About 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

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 (PubChem CID 165083177) has the molecular formula C117H238F6N18O14 and a molecular weight of 2235.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID165083177
Molecular FormulaC117H238F6N18O14
Molecular Weight2235.29 g/mol
Exact Mass2233.84
IUPAC Name1-[(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
SMILESCC(C)(C)NC1CCOC1.CC(C)(C)NCC1CN(C2COC2)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]1CN(C(F)(F)F)CCO1.CCN1CCOC(CCCCC(C)(C)C)C1.CCN1CCO[C@@H](CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCOC(CNC(C)(C)C)C1.CN(C)CC(=O)N1CCO[C@@H](CNC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2.2C14H29NO.2C13H27N3O2.C12H24N2O2.2C10H19F3N2O.C9H19NO.C8H17NO/c1-14(2,3)15-10-13-11-16(6-9-18-13)12-4-7-17-8-5-12;2*1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;2*1-13(2,3)14-8-11-9-16(6-7-18-11)12(17)10-15(4)5;1-12(2,3)13-6-11-7-14(4-5-16-11)10-8-15-9-10;2*1-9(2,3)14-6-8-7-15(4-5-16-8)10(11,12)13;1-9(2,3)10-6-8-4-5-11-7-8;1-8(2,3)9-7-4-5-10-6-7/h12-13,15H,4-11H2,1-3H3;2*13H,5-12H2,1-4H3;2*11,14H,6-10H2,1-5H3;10-11,13H,4-9H2,1-3H3;2*8,14H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3/t2*13-;;11-;;;3*8-;/m10.0..100./s1
InChIKeyVLMMLOAGTQSVMZ-XBASVKHISA-N
XLogP14.45
TPSA273.54 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002235.29
LogP ≤ 514.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)NC1CCOC1.CC(C)(C)NCC1CN(C2COC2)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]1CN(C(F)(F)F)CCO1.CCN1CCOC(CCCCC(C)(C)C)C1.CCN1CCO[C@@H](CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCOC(CNC(C)(C)C)C1.CN(C)CC(=O)N1CCO[C@@H](CNC(C)(C)C)C1.
What is the InChIKey of 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?
The InChIKey is VLMMLOAGTQSVMZ-XBASVKHISA-N. The full InChI is InChI=1S/C14H28N2O2.2C14H29NO.2C13H27N3O2.C12H24N2O2.2C10H19F3N2O.C9H19NO.C8H17NO/c1-14(2,3)15-10-13-11-16(6-9-18-13)12-4-7-17-8-5-12;2*1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;2*1-13(2,3)14-8-11-9-16(6-7-18-11)12(17)10-15(4)5;1-12(2,3)13-6-11-7-14(4-5-16-11)10-8-15-9-10;2*1-9(2,3)14-6-8-7-15(4-5-16-8)10(11,12)13;1-9(2,3)10-6-8-4-5-11-7-8;1-8(2,3)9-7-4-5-10-6-7/h12-13,15H,4-11H2,1-3H3;2*13H,5-12H2,1-4H3;2*11,14H,6-10H2,1-5H3;10-11,13H,4-9H2,1-3H3;2*8,14H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3/t2*13-;;11-;;;3*8-;/m10.0..100./s1.
What are the key properties of 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?
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 has a molecular weight of 2235.29 g/mol, XLogP of 14.45, 31 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165083177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).