2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine

C217H432F30N30O13 — CID 158838479

IUPAC2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCCC1C(F)(F)F.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](C(F)(F)F)C1.CC(C)N1CCC[C@@H]1C(F)(F)F.CC(C)N1CCC[C@H](C(F)(F)F)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCNCC1C.CC(C)N1CCOC(C(F)(F)F)C1.CC(C)N1CCOC(C)(C)C1.CC(C)N1CCOC(C2CC2)C1.CC(C)N1CCOCC1.CC(C)N1CCOC[C@@H]1C.CC(C)N1CCO[C@@H](C(F)(F)F)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C(F)(F)F)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CC[C@@H](C(F)(F)F)C1.CC(C)N1CC[C@H](C(F)(F)F)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@H](C)C1.CC(C)N1C[C@H](C)O[C@@H](C)C1.CC1CCN(C(C)C)CC1.CC1CN(C(C)C)CCN1.CC[C@@H]1CN(C(C)C)CCO1
InChIInChI=1S/C10H19NO.3C9H16F3N.5C9H19NO.C9H19N.3C8H14F3NO.4C8H14F3N.3C8H18N2.3C8H17NO.C8H17N.C7H16N2.C7H15NO/c1-8(2)11-5-6-12-10(7-11)9-3-4-9;1-7(2)13-5-3-8(4-6-13)9(10,11)12;2*1-7(2)13-5-3-4-8(6-13)9(10,11)12;3*1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-5-6-11-9(3,4)7-10;1-4-9-7-10(8(2)3)5-6-11-9;1-8(2)10-6-4-9(3)5-7-10;3*1-6(2)12-3-4-13-7(5-12)8(9,10)11;2*1-6(2)12-4-3-7(5-12)8(9,10)11;2*1-6(2)12-5-3-4-7(12)8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-7(2)10-5-4-9-6-8(10)3;1-7(2)9-4-5-10-6-8(9)3;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h8-10H,3-7H2,1-2H3;3*7-8H,3-6H2,1-2H3;3*7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;3*6-7H,3-5H2,1-2H3;4*6-7H,3-5H2,1-2H3;8H,4-7H2,1-3H3;2*7-9H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;;2*8-;8-,9+;2*8-,9-;;9-;;2*7-;;3*7-;;;;;3*8-;;;/m..10.10.1.10.101....010.../s1
InChIKeyIXXZDFDELAIIRZ-HOVOFZMQSA-N
MW4239.98 g/mol
LogP41.81
Rot. Bonds28

About 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine

2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine (PubChem CID 158838479) has the molecular formula C217H432F30N30O13 and a molecular weight of 4239.98 g/mol. Its IUPAC name is 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
PubChem CID158838479
Molecular FormulaC217H432F30N30O13
Molecular Weight4239.98 g/mol
Exact Mass4237.36
IUPAC Name2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCCC1C(F)(F)F.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](C(F)(F)F)C1.CC(C)N1CCC[C@@H]1C(F)(F)F.CC(C)N1CCC[C@H](C(F)(F)F)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCNCC1C.CC(C)N1CCOC(C(F)(F)F)C1.CC(C)N1CCOC(C)(C)C1.CC(C)N1CCOC(C2CC2)C1.CC(C)N1CCOCC1.CC(C)N1CCOC[C@@H]1C.CC(C)N1CCO[C@@H](C(F)(F)F)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C(F)(F)F)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CC[C@@H](C(F)(F)F)C1.CC(C)N1CC[C@H](C(F)(F)F)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@H](C)C1.CC(C)N1C[C@H](C)O[C@@H](C)C1.CC1CCN(C(C)C)CC1.CC1CN(C(C)C)CCN1.CC[C@@H]1CN(C(C)C)CCO1
InChIInChI=1S/C10H19NO.3C9H16F3N.5C9H19NO.C9H19N.3C8H14F3NO.4C8H14F3N.3C8H18N2.3C8H17NO.C8H17N.C7H16N2.C7H15NO/c1-8(2)11-5-6-12-10(7-11)9-3-4-9;1-7(2)13-5-3-8(4-6-13)9(10,11)12;2*1-7(2)13-5-3-4-8(6-13)9(10,11)12;3*1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-5-6-11-9(3,4)7-10;1-4-9-7-10(8(2)3)5-6-11-9;1-8(2)10-6-4-9(3)5-7-10;3*1-6(2)12-3-4-13-7(5-12)8(9,10)11;2*1-6(2)12-4-3-7(5-12)8(9,10)11;2*1-6(2)12-5-3-4-7(12)8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-7(2)10-5-4-9-6-8(10)3;1-7(2)9-4-5-10-6-8(9)3;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h8-10H,3-7H2,1-2H3;3*7-8H,3-6H2,1-2H3;3*7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;3*6-7H,3-5H2,1-2H3;4*6-7H,3-5H2,1-2H3;8H,4-7H2,1-3H3;2*7-9H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;;2*8-;8-,9+;2*8-,9-;;9-;;2*7-;;3*7-;;;;;3*8-;;;/m..10.10.1.10.101....010.../s1
InChIKeyIXXZDFDELAIIRZ-HOVOFZMQSA-N
XLogP41.81
TPSA243.56 Ų
H-Bond Donors3
H-Bond Acceptors43
Rotatable Bonds28
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004239.98
LogP ≤ 541.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1043

Analyze 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine (CID 158838479) is 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine is CC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCCC1C(F)(F)F.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](C(F)(F)F)C1.CC(C)N1CCC[C@@H]1C(F)(F)F.CC(C)N1CCC[C@H](C(F)(F)F)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCNCC1C.CC(C)N1CCOC(C(F)(F)F)C1.CC(C)N1CCOC(C)(C)C1.CC(C)N1CCOC(C2CC2)C1.CC(C)N1CCOCC1.CC(C)N1CCOC[C@@H]1C.CC(C)N1CCO[C@@H](C(F)(F)F)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C(F)(F)F)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CC[C@@H](C(F)(F)F)C1.CC(C)N1CC[C@H](C(F)(F)F)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@H](C)C1.CC(C)N1C[C@H](C)O[C@@H](C)C1.CC1CCN(C(C)C)CC1.CC1CN(C(C)C)CCN1.CC[C@@H]1CN(C(C)C)CCO1.
What is the InChIKey of 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is IXXZDFDELAIIRZ-HOVOFZMQSA-N. The full InChI is InChI=1S/C10H19NO.3C9H16F3N.5C9H19NO.C9H19N.3C8H14F3NO.4C8H14F3N.3C8H18N2.3C8H17NO.C8H17N.C7H16N2.C7H15NO/c1-8(2)11-5-6-12-10(7-11)9-3-4-9;1-7(2)13-5-3-8(4-6-13)9(10,11)12;2*1-7(2)13-5-3-4-8(6-13)9(10,11)12;3*1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-5-6-11-9(3,4)7-10;1-4-9-7-10(8(2)3)5-6-11-9;1-8(2)10-6-4-9(3)5-7-10;3*1-6(2)12-3-4-13-7(5-12)8(9,10)11;2*1-6(2)12-4-3-7(5-12)8(9,10)11;2*1-6(2)12-5-3-4-7(12)8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-7(2)10-5-4-9-6-8(10)3;1-7(2)9-4-5-10-6-8(9)3;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h8-10H,3-7H2,1-2H3;3*7-8H,3-6H2,1-2H3;3*7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;3*6-7H,3-5H2,1-2H3;4*6-7H,3-5H2,1-2H3;8H,4-7H2,1-3H3;2*7-9H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;;2*8-;8-,9+;2*8-,9-;;9-;;2*7-;;3*7-;;;;;3*8-;;;/m..10.10.1.10.101....010.../s1.
What are the key properties of 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 4239.98 g/mol, XLogP of 41.81, 28 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 158838479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).