N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol

C186H388N30O23 — CID 158441404

IUPACN-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol
SMILESC.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CC1CCN(CC(=O)N2CCOCC2)CC1.CC(C)(C)CCCO.CC(C)(C)CCOCCO.CC(C)(C)CN1CCNCC1.CC(C)(C)N(CCN1CCOCC1)C1COC1.CC(C)(C)N1CCOC[C@@H]1CO.CC(C)(C)N1CCOC[C@H]1CO.CC(C)CN1CCN(CC(=O)N(C)C)[C@H](C)C1.CC(C)N1CCN(CC(=O)N2CCOCC2)CC1.CC1(C)COC1.CCCO.CN(C)C(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)CN1CCN(CC(C)(C)C)CC1.CN1CCN(C(=O)C(C)(C)C)CC1.COCCC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)[C@@H](C)CN1CC(=O)N(C)C.C[C@H]1CN(CC(=O)N(C)C)CCN1CC(C)(C)C
InChIInChI=1S/C16H30N2O2.C15H31N3O.C14H29N3O.C13H25N3O2.2C13H27N3O.C13H26N2O2.C12H25N3O.C10H20N2O.C9H18N2O.C9H20N2.2C9H19NO2.C8H18O2.2C7H16O.C5H10O.C3H8O.CH4/c1-16(2,3)12-14-4-6-17(7-5-14)13-15(19)18-8-10-20-11-9-18;1-12-9-18(11-15(3,4)5)13(2)8-17(12)10-14(19)16(6)7;1-12-9-16(10-13(18)15(5)6)7-8-17(12)11-14(2,3)4;1-12(2)15-5-3-14(4-6-15)11-13(17)16-7-9-18-10-8-16;1-13(2,3)11-16-8-6-15(7-9-16)10-12(17)14(4)5;1-11(2)8-15-6-7-16(12(3)9-15)10-13(17)14(4)5;1-13(2,3)15(12-10-17-11-12)5-4-14-6-8-16-9-7-14;1-12(2,3)15-8-6-14(7-9-15)10-11(16)13(4)5;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-11-6-4-10-5-7-11;2*1-9(2,3)10-4-5-12-7-8(10)6-11;1-8(2,3)4-6-10-7-5-9;1-7(2,3)5-6-8-4;1-7(2,3)5-4-6-8;1-5(2)3-6-4-5;1-2-3-4;/h14H,4-13H2,1-3H3;12-13H,8-11H2,1-7H3;12H,7-11H2,1-6H3;12H,3-11H2,1-2H3;6-11H2,1-5H3;11-12H,6-10H2,1-5H3;12H,4-11H2,1-3H3;6-10H2,1-5H3;5-8H2,1-4H3;10H,4-7H2,1-3H3;10H,4-8H2,1-3H3;2*8,11H,4-7H2,1-3H3;9H,4-7H2,1-3H3;5-6H2,1-4H3;8H,4-6H2,1-3H3;3-4H2,1-2H3;4H,2-3H2,1H3;1H4/t;12-,13+;12-;;;12-;;;;;;2*8-;;;;;;/m.10..1.....10....../s1
InChIKeyHCVZRUNHHWXIOI-NCZRKHKYSA-N
MW3413.34 g/mol
LogP17.83
Rot. Bonds37

About N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol

N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol (PubChem CID 158441404) has the molecular formula C186H388N30O23 and a molecular weight of 3413.34 g/mol. Its IUPAC name is N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol.

Molecular Properties

Compound NameN-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol
PubChem CID158441404
Molecular FormulaC186H388N30O23
Molecular Weight3413.34 g/mol
Exact Mass3411.01
IUPAC NameN-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol
SMILESC.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CC1CCN(CC(=O)N2CCOCC2)CC1.CC(C)(C)CCCO.CC(C)(C)CCOCCO.CC(C)(C)CN1CCNCC1.CC(C)(C)N(CCN1CCOCC1)C1COC1.CC(C)(C)N1CCOC[C@@H]1CO.CC(C)(C)N1CCOC[C@H]1CO.CC(C)CN1CCN(CC(=O)N(C)C)[C@H](C)C1.CC(C)N1CCN(CC(=O)N2CCOCC2)CC1.CC1(C)COC1.CCCO.CN(C)C(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)CN1CCN(CC(C)(C)C)CC1.CN1CCN(C(=O)C(C)(C)C)CC1.COCCC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)[C@@H](C)CN1CC(=O)N(C)C.C[C@H]1CN(CC(=O)N(C)C)CCN1CC(C)(C)C
InChIInChI=1S/C16H30N2O2.C15H31N3O.C14H29N3O.C13H25N3O2.2C13H27N3O.C13H26N2O2.C12H25N3O.C10H20N2O.C9H18N2O.C9H20N2.2C9H19NO2.C8H18O2.2C7H16O.C5H10O.C3H8O.CH4/c1-16(2,3)12-14-4-6-17(7-5-14)13-15(19)18-8-10-20-11-9-18;1-12-9-18(11-15(3,4)5)13(2)8-17(12)10-14(19)16(6)7;1-12-9-16(10-13(18)15(5)6)7-8-17(12)11-14(2,3)4;1-12(2)15-5-3-14(4-6-15)11-13(17)16-7-9-18-10-8-16;1-13(2,3)11-16-8-6-15(7-9-16)10-12(17)14(4)5;1-11(2)8-15-6-7-16(12(3)9-15)10-13(17)14(4)5;1-13(2,3)15(12-10-17-11-12)5-4-14-6-8-16-9-7-14;1-12(2,3)15-8-6-14(7-9-15)10-11(16)13(4)5;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-11-6-4-10-5-7-11;2*1-9(2,3)10-4-5-12-7-8(10)6-11;1-8(2,3)4-6-10-7-5-9;1-7(2,3)5-6-8-4;1-7(2,3)5-4-6-8;1-5(2)3-6-4-5;1-2-3-4;/h14H,4-13H2,1-3H3;12-13H,8-11H2,1-7H3;12H,7-11H2,1-6H3;12H,3-11H2,1-2H3;6-11H2,1-5H3;11-12H,6-10H2,1-5H3;12H,4-11H2,1-3H3;6-10H2,1-5H3;5-8H2,1-4H3;10H,4-7H2,1-3H3;10H,4-8H2,1-3H3;2*8,11H,4-7H2,1-3H3;9H,4-7H2,1-3H3;5-6H2,1-4H3;8H,4-6H2,1-3H3;3-4H2,1-2H3;4H,2-3H2,1H3;1H4/t;12-,13+;12-;;;12-;;;;;;2*8-;;;;;;/m.10..1.....10....../s1
InChIKeyHCVZRUNHHWXIOI-NCZRKHKYSA-N
XLogP17.83
TPSA452.63 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds37
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003413.34
LogP ≤ 517.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol?
The IUPAC name of N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol (CID 158441404) is N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol.
What is the SMILES notation for N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol?
The canonical SMILES for N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol is C.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CC1CCN(CC(=O)N2CCOCC2)CC1.CC(C)(C)CCCO.CC(C)(C)CCOCCO.CC(C)(C)CN1CCNCC1.CC(C)(C)N(CCN1CCOCC1)C1COC1.CC(C)(C)N1CCOC[C@@H]1CO.CC(C)(C)N1CCOC[C@H]1CO.CC(C)CN1CCN(CC(=O)N(C)C)[C@H](C)C1.CC(C)N1CCN(CC(=O)N2CCOCC2)CC1.CC1(C)COC1.CCCO.CN(C)C(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)CN1CCN(CC(C)(C)C)CC1.CN1CCN(C(=O)C(C)(C)C)CC1.COCCC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)[C@@H](C)CN1CC(=O)N(C)C.C[C@H]1CN(CC(=O)N(C)C)CCN1CC(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol?
The InChIKey is HCVZRUNHHWXIOI-NCZRKHKYSA-N. The full InChI is InChI=1S/C16H30N2O2.C15H31N3O.C14H29N3O.C13H25N3O2.2C13H27N3O.C13H26N2O2.C12H25N3O.C10H20N2O.C9H18N2O.C9H20N2.2C9H19NO2.C8H18O2.2C7H16O.C5H10O.C3H8O.CH4/c1-16(2,3)12-14-4-6-17(7-5-14)13-15(19)18-8-10-20-11-9-18;1-12-9-18(11-15(3,4)5)13(2)8-17(12)10-14(19)16(6)7;1-12-9-16(10-13(18)15(5)6)7-8-17(12)11-14(2,3)4;1-12(2)15-5-3-14(4-6-15)11-13(17)16-7-9-18-10-8-16;1-13(2,3)11-16-8-6-15(7-9-16)10-12(17)14(4)5;1-11(2)8-15-6-7-16(12(3)9-15)10-13(17)14(4)5;1-13(2,3)15(12-10-17-11-12)5-4-14-6-8-16-9-7-14;1-12(2,3)15-8-6-14(7-9-15)10-11(16)13(4)5;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-11-6-4-10-5-7-11;2*1-9(2,3)10-4-5-12-7-8(10)6-11;1-8(2,3)4-6-10-7-5-9;1-7(2,3)5-6-8-4;1-7(2,3)5-4-6-8;1-5(2)3-6-4-5;1-2-3-4;/h14H,4-13H2,1-3H3;12-13H,8-11H2,1-7H3;12H,7-11H2,1-6H3;12H,3-11H2,1-2H3;6-11H2,1-5H3;11-12H,6-10H2,1-5H3;12H,4-11H2,1-3H3;6-10H2,1-5H3;5-8H2,1-4H3;10H,4-7H2,1-3H3;10H,4-8H2,1-3H3;2*8,11H,4-7H2,1-3H3;9H,4-7H2,1-3H3;5-6H2,1-4H3;8H,4-6H2,1-3H3;3-4H2,1-2H3;4H,2-3H2,1H3;1H4/t;12-,13+;12-;;;12-;;;;;;2*8-;;;;;;/m.10..1.....10....../s1.
What are the key properties of N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol?
N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol has a molecular weight of 3413.34 g/mol, XLogP of 17.83, 37 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine;[(3R)-4-tert-butylmorpholin-3-yl]methanol;[(3S)-4-tert-butylmorpholin-3-yl]methanol;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;2-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;2-[4-(2,2-dimethylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone;methane;1-methoxy-3,3-dimethylbutane;1-morpholin-4-yl-2-(4-propan-2-ylpiperazin-1-yl)ethanone;propan-1-ol is sourced from PubChem (CID 158441404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).