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

C60H121F3N8O6 — CID 165094761

IUPAC1-[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
SMILESCC(=O)N1CCOC(CCCNC(C)(C)C)C1.CC(C)(C)CC1CCOC1.CC(C)(C)NCC1CN(C(F)(F)F)CCO1.CCN1CCOC(CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O.C14H29NO.C13H26N2O2.C10H19F3N2O.C9H18O/c1-14(2,3)15-10-12-6-8-17(9-7-12)13(18)11-16(4)5;1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;1-11(16)15-8-9-17-12(10-15)6-5-7-14-13(2,3)4;1-9(2,3)14-6-8-7-15(4-5-16-8)10(11,12)13;1-9(2,3)6-8-4-5-10-7-8/h12,15H,6-11H2,1-5H3;13H,5-12H2,1-4H3;12,14H,5-10H2,1-4H3;8,14H,4-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyXHQCJNXYNGRQFS-UHFFFAOYSA-N
MW1107.67 g/mol
LogP9.94
Rot. Bonds16

About 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

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 (PubChem CID 165094761) has the molecular formula C60H121F3N8O6 and a molecular weight of 1107.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID165094761
Molecular FormulaC60H121F3N8O6
Molecular Weight1107.67 g/mol
Exact Mass1106.94
IUPAC Name1-[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
SMILESCC(=O)N1CCOC(CCCNC(C)(C)C)C1.CC(C)(C)CC1CCOC1.CC(C)(C)NCC1CN(C(F)(F)F)CCO1.CCN1CCOC(CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O.C14H29NO.C13H26N2O2.C10H19F3N2O.C9H18O/c1-14(2,3)15-10-12-6-8-17(9-7-12)13(18)11-16(4)5;1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;1-11(16)15-8-9-17-12(10-15)6-5-7-14-13(2,3)4;1-9(2,3)14-6-8-7-15(4-5-16-8)10(11,12)13;1-9(2,3)6-8-4-5-10-7-8/h12,15H,6-11H2,1-5H3;13H,5-12H2,1-4H3;12,14H,5-10H2,1-4H3;8,14H,4-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyXHQCJNXYNGRQFS-UHFFFAOYSA-N
XLogP9.94
TPSA123.35 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001107.67
LogP ≤ 59.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCOC(CCCNC(C)(C)C)C1.CC(C)(C)CC1CCOC1.CC(C)(C)NCC1CN(C(F)(F)F)CCO1.CCN1CCOC(CCCCC(C)(C)C)C1.CN(C)CC(=O)N1CCC(CNC(C)(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is XHQCJNXYNGRQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.C14H29NO.C13H26N2O2.C10H19F3N2O.C9H18O/c1-14(2,3)15-10-12-6-8-17(9-7-12)13(18)11-16(4)5;1-5-15-10-11-16-13(12-15)8-6-7-9-14(2,3)4;1-11(16)15-8-9-17-12(10-15)6-5-7-14-13(2,3)4;1-9(2,3)14-6-8-7-15(4-5-16-8)10(11,12)13;1-9(2,3)6-8-4-5-10-7-8/h12,15H,6-11H2,1-5H3;13H,5-12H2,1-4H3;12,14H,5-10H2,1-4H3;8,14H,4-7H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1107.67 g/mol, XLogP of 9.94, 16 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165094761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).