1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide

C199H347F5N18O14S — CID 161028262

IUPAC1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide
SMILESC#CC1(C(C)C)CCOCC1.C=C(NCC1(C(C)C)CCOCC1)OC(C)(C)C.CC(=O)N1CCC(C)(C(C)C)CC1.CC(C)C1(C)CCOCC1.CC(C)C1(C)CCOCC1.CC(C)C1(C)COC1.CC(C)C1(c2ccccc2)CCOCC1.CC(C)C1(c2ccccc2)COC1.CC(C)C1(c2cnn(C)c2)CCCO1.CC(C)C1CCCN1Cc1ccccc1.CC(C)C1CCCN1Cc1cccnc1.CC(C)C1CCCN1Cc1cnccn1.CC(C)C1CCCN1Cc1ncccn1.CC(C)C1CCS(=O)(=O)CC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(F)C1.CC(C)N1CCC(O)C1.CCCCC(=O)N1CCCC(C(C)C)C1
InChIInChI=1S/C15H29NO2.C14H21N.C14H20O.C13H20N2.C13H25NO.2C12H19N3.C12H16O.C11H18N2O.C11H21NO.C10H16O.2C9H18O.C8H15F2N.C8H16O2S.C7H13F2N.C7H14FN.C7H15NO.C7H14O/c1-12(2)15(7-9-17-10-8-15)11-16-13(3)18-14(4,5)6;1-12(2)14-9-6-10-15(14)11-13-7-4-3-5-8-13;1-12(2)14(8-10-15-11-9-14)13-6-4-3-5-7-13;1-11(2)13-6-4-8-15(13)10-12-5-3-7-14-9-12;1-4-5-8-13(15)14-9-6-7-12(10-14)11(2)3;1-10(2)11-5-3-8-15(11)9-12-13-6-4-7-14-12;1-10(2)12-4-3-7-15(12)9-11-8-13-5-6-14-11;1-10(2)12(8-13-9-12)11-6-4-3-5-7-11;1-9(2)11(5-4-6-14-11)10-7-12-13(3)8-10;1-9(2)11(4)5-7-12(8-6-11)10(3)13;1-4-10(9(2)3)5-7-11-8-6-10;2*1-8(2)9(3)4-6-10-7-5-9;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)8-3-5-11(9,10)6-4-8;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9;1-6(2)8-4-3-7(9)5-8;1-6(2)7(3)4-8-5-7/h12,16H,3,7-11H2,1-2,4-6H3;3-5,7-8,12,14H,6,9-11H2,1-2H3;3-7,12H,8-11H2,1-2H3;3,5,7,9,11,13H,4,6,8,10H2,1-2H3;11-12H,4-10H2,1-3H3;4,6-7,10-11H,3,5,8-9H2,1-2H3;5-6,8,10,12H,3-4,7,9H2,1-2H3;3-7,10H,8-9H2,1-2H3;7-9H,4-6H2,1-3H3;9H,5-8H2,1-4H3;1,9H,5-8H2,2-3H3;2*8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6-7,9H,3-5H2,1-2H3;6H,4-5H2,1-3H3
InChIKeyTZGTWYQBEXCOFY-UHFFFAOYSA-N
MW3343.13 g/mol
LogP42.86
Rot. Bonds37

About 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide

1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide (PubChem CID 161028262) has the molecular formula C199H347F5N18O14S and a molecular weight of 3343.13 g/mol. Its IUPAC name is 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide.

Molecular Properties

Compound Name1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide
PubChem CID161028262
Molecular FormulaC199H347F5N18O14S
Molecular Weight3343.13 g/mol
Exact Mass3340.66
IUPAC Name1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide
SMILESC#CC1(C(C)C)CCOCC1.C=C(NCC1(C(C)C)CCOCC1)OC(C)(C)C.CC(=O)N1CCC(C)(C(C)C)CC1.CC(C)C1(C)CCOCC1.CC(C)C1(C)CCOCC1.CC(C)C1(C)COC1.CC(C)C1(c2ccccc2)CCOCC1.CC(C)C1(c2ccccc2)COC1.CC(C)C1(c2cnn(C)c2)CCCO1.CC(C)C1CCCN1Cc1ccccc1.CC(C)C1CCCN1Cc1cccnc1.CC(C)C1CCCN1Cc1cnccn1.CC(C)C1CCCN1Cc1ncccn1.CC(C)C1CCS(=O)(=O)CC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(F)C1.CC(C)N1CCC(O)C1.CCCCC(=O)N1CCCC(C(C)C)C1
InChIInChI=1S/C15H29NO2.C14H21N.C14H20O.C13H20N2.C13H25NO.2C12H19N3.C12H16O.C11H18N2O.C11H21NO.C10H16O.2C9H18O.C8H15F2N.C8H16O2S.C7H13F2N.C7H14FN.C7H15NO.C7H14O/c1-12(2)15(7-9-17-10-8-15)11-16-13(3)18-14(4,5)6;1-12(2)14-9-6-10-15(14)11-13-7-4-3-5-8-13;1-12(2)14(8-10-15-11-9-14)13-6-4-3-5-7-13;1-11(2)13-6-4-8-15(13)10-12-5-3-7-14-9-12;1-4-5-8-13(15)14-9-6-7-12(10-14)11(2)3;1-10(2)11-5-3-8-15(11)9-12-13-6-4-7-14-12;1-10(2)12-4-3-7-15(12)9-11-8-13-5-6-14-11;1-10(2)12(8-13-9-12)11-6-4-3-5-7-11;1-9(2)11(5-4-6-14-11)10-7-12-13(3)8-10;1-9(2)11(4)5-7-12(8-6-11)10(3)13;1-4-10(9(2)3)5-7-11-8-6-10;2*1-8(2)9(3)4-6-10-7-5-9;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)8-3-5-11(9,10)6-4-8;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9;1-6(2)8-4-3-7(9)5-8;1-6(2)7(3)4-8-5-7/h12,16H,3,7-11H2,1-2,4-6H3;3-5,7-8,12,14H,6,9-11H2,1-2H3;3-7,12H,8-11H2,1-2H3;3,5,7,9,11,13H,4,6,8,10H2,1-2H3;11-12H,4-10H2,1-3H3;4,6-7,10-11H,3,5,8-9H2,1-2H3;5-6,8,10,12H,3-4,7,9H2,1-2H3;3-7,10H,8-9H2,1-2H3;7-9H,4-6H2,1-3H3;9H,5-8H2,1-4H3;1,9H,5-8H2,2-3H3;2*8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6-7,9H,3-5H2,1-2H3;6H,4-5H2,1-3H3
InChIKeyTZGTWYQBEXCOFY-UHFFFAOYSA-N
XLogP42.86
TPSA298.28 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds37
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003343.13
LogP ≤ 542.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 159519216

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide?
The IUPAC name of 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide (CID 161028262) is 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide.
What is the SMILES notation for 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide?
The canonical SMILES for 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide is C#CC1(C(C)C)CCOCC1.C=C(NCC1(C(C)C)CCOCC1)OC(C)(C)C.CC(=O)N1CCC(C)(C(C)C)CC1.CC(C)C1(C)CCOCC1.CC(C)C1(C)CCOCC1.CC(C)C1(C)COC1.CC(C)C1(c2ccccc2)CCOCC1.CC(C)C1(c2ccccc2)COC1.CC(C)C1(c2cnn(C)c2)CCCO1.CC(C)C1CCCN1Cc1ccccc1.CC(C)C1CCCN1Cc1cccnc1.CC(C)C1CCCN1Cc1cnccn1.CC(C)C1CCCN1Cc1ncccn1.CC(C)C1CCS(=O)(=O)CC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(F)C1.CC(C)N1CCC(O)C1.CCCCC(=O)N1CCCC(C(C)C)C1.
What is the InChIKey of 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide?
The InChIKey is TZGTWYQBEXCOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2.C14H21N.C14H20O.C13H20N2.C13H25NO.2C12H19N3.C12H16O.C11H18N2O.C11H21NO.C10H16O.2C9H18O.C8H15F2N.C8H16O2S.C7H13F2N.C7H14FN.C7H15NO.C7H14O/c1-12(2)15(7-9-17-10-8-15)11-16-13(3)18-14(4,5)6;1-12(2)14-9-6-10-15(14)11-13-7-4-3-5-8-13;1-12(2)14(8-10-15-11-9-14)13-6-4-3-5-7-13;1-11(2)13-6-4-8-15(13)10-12-5-3-7-14-9-12;1-4-5-8-13(15)14-9-6-7-12(10-14)11(2)3;1-10(2)11-5-3-8-15(11)9-12-13-6-4-7-14-12;1-10(2)12-4-3-7-15(12)9-11-8-13-5-6-14-11;1-10(2)12(8-13-9-12)11-6-4-3-5-7-11;1-9(2)11(5-4-6-14-11)10-7-12-13(3)8-10;1-9(2)11(4)5-7-12(8-6-11)10(3)13;1-4-10(9(2)3)5-7-11-8-6-10;2*1-8(2)9(3)4-6-10-7-5-9;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)8-3-5-11(9,10)6-4-8;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9;1-6(2)8-4-3-7(9)5-8;1-6(2)7(3)4-8-5-7/h12,16H,3,7-11H2,1-2,4-6H3;3-5,7-8,12,14H,6,9-11H2,1-2H3;3-7,12H,8-11H2,1-2H3;3,5,7,9,11,13H,4,6,8,10H2,1-2H3;11-12H,4-10H2,1-3H3;4,6-7,10-11H,3,5,8-9H2,1-2H3;5-6,8,10,12H,3-4,7,9H2,1-2H3;3-7,10H,8-9H2,1-2H3;7-9H,4-6H2,1-3H3;9H,5-8H2,1-4H3;1,9H,5-8H2,2-3H3;2*8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6-7,9H,3-5H2,1-2H3;6H,4-5H2,1-3H3.
What are the key properties of 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide?
1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide has a molecular weight of 3343.13 g/mol, XLogP of 42.86, 37 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide is sourced from PubChem (CID 161028262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).