1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one

C275H522F8N40O7S — CID 158462714

IUPAC1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
SMILESC=S1(=O)CCN(C(C)(C)C)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CN(c2ncccc2F)C1.CC(C)(C)C1CN(c2ncccn2)C1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)c1ncco1.CC(C)(C)n1cccc1C1CC1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CCc1nccn1C(C)(C)C.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.Cc1cnc(C(C)(C)C)n1C.Cc1nccn1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cncc1C(C)(C)C.[C-]#[N+]c1cccn1C(C)(C)C
InChIInChI=1S/C12H17FN2.C12H25N.C11H17N3.C11H22N2.C11H24N2.C11H17N.C11H23N.C10H21N.C10H20.C9H17F2N.C9H16N2.C9H12N2.C9H16N2.C9H19NOS.2C9H19NO.C9H17NO.3C9H19N.C8H15F2N.C8H16FN.3C8H14N2.C8H17NO.C8H15NO.C7H13F2N.C7H11NO.C7H15N/c1-12(2,3)9-7-15(8-9)11-10(13)5-4-6-14-11;1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-11(2,3)9-7-14(8-9)10-12-5-4-6-13-10;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-11(2,3)12-8-4-5-10(12)9-6-7-9;1-5-12-8-6-10(7-9-12)11(2,3)4;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)12-6-4-9(10,11)5-7-12;1-7-6-10-8(11(7)5)9(2,3)4;1-9(2,3)11-7-5-6-8(11)10-4;1-5-8-10-6-7-11(8)9(2,3)4;1-9(2,3)10-5-7-12(4,11)8-6-10;2*1-9(2,3)10-6-5-8(7-10)11-4;1-9(2,3)10-7-5-4-6-8(10)11;3*1-8-5-6-10(7-8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-9-5-6-10(7)4;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-8-4-5-9-6;1-7(2,3)8-5-4-6-8/h4-6,9H,7-8H2,1-3H3;10-11H,6-9H2,1-5H3;4-6,9H,7-8H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;4-5,8-9H,6-7H2,1-3H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;6H,1-5H3;5-7H,1-3H3;6-7H,5H2,1-4H3;4-8H2,1-3H3;2*8H,5-7H2,1-4H3;4-7H2,1-3H3;3*8H,5-7H2,1-4H3;4-6H2,1-3H3;7H,4-6H2,1-3H3;3*5-6H,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-6H2,1-3H3/t;;;;;;;;;;;;;;2*8-;;3*8-;;7-;;;;;;;;/m..............10.110.0......../s1
InChIKeyHFJMDHAREDVUJG-MBTGKWMKSA-N
MW4685.53 g/mol
LogP61.81
Rot. Bonds10

About 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one

1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one (PubChem CID 158462714) has the molecular formula C275H522F8N40O7S and a molecular weight of 4685.53 g/mol. Its IUPAC name is 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
PubChem CID158462714
Molecular FormulaC275H522F8N40O7S
Molecular Weight4685.53 g/mol
Exact Mass4682.13
IUPAC Name1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
SMILESC=S1(=O)CCN(C(C)(C)C)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CN(c2ncccc2F)C1.CC(C)(C)C1CN(c2ncccn2)C1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)c1ncco1.CC(C)(C)n1cccc1C1CC1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CCc1nccn1C(C)(C)C.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.Cc1cnc(C(C)(C)C)n1C.Cc1nccn1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cncc1C(C)(C)C.[C-]#[N+]c1cccn1C(C)(C)C
InChIInChI=1S/C12H17FN2.C12H25N.C11H17N3.C11H22N2.C11H24N2.C11H17N.C11H23N.C10H21N.C10H20.C9H17F2N.C9H16N2.C9H12N2.C9H16N2.C9H19NOS.2C9H19NO.C9H17NO.3C9H19N.C8H15F2N.C8H16FN.3C8H14N2.C8H17NO.C8H15NO.C7H13F2N.C7H11NO.C7H15N/c1-12(2,3)9-7-15(8-9)11-10(13)5-4-6-14-11;1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-11(2,3)9-7-14(8-9)10-12-5-4-6-13-10;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-11(2,3)12-8-4-5-10(12)9-6-7-9;1-5-12-8-6-10(7-9-12)11(2,3)4;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)12-6-4-9(10,11)5-7-12;1-7-6-10-8(11(7)5)9(2,3)4;1-9(2,3)11-7-5-6-8(11)10-4;1-5-8-10-6-7-11(8)9(2,3)4;1-9(2,3)10-5-7-12(4,11)8-6-10;2*1-9(2,3)10-6-5-8(7-10)11-4;1-9(2,3)10-7-5-4-6-8(10)11;3*1-8-5-6-10(7-8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-9-5-6-10(7)4;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-8-4-5-9-6;1-7(2,3)8-5-4-6-8/h4-6,9H,7-8H2,1-3H3;10-11H,6-9H2,1-5H3;4-6,9H,7-8H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;4-5,8-9H,6-7H2,1-3H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;6H,1-5H3;5-7H,1-3H3;6-7H,5H2,1-4H3;4-8H2,1-3H3;2*8H,5-7H2,1-4H3;4-7H2,1-3H3;3*8H,5-7H2,1-4H3;4-6H2,1-3H3;7H,4-6H2,1-3H3;3*5-6H,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-6H2,1-3H3/t;;;;;;;;;;;;;;2*8-;;3*8-;;7-;;;;;;;;/m..............10.110.0......../s1
InChIKeyHFJMDHAREDVUJG-MBTGKWMKSA-N
XLogP61.81
TPSA321.44 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds10
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004685.53
LogP ≤ 561.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
CID 158312252
1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 159164506
1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 160364508
1-tert-butylazetidine;2-(1-tert-butylazetidin-3-yl)-3-fluoropyridine;2-(1-tert-butylazetidin-3-yl)pyrimidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyridine;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 160594999
1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyridine;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 161114928
1-Tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole
CID 157106362
1-Tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;bis(1-tert-butylimidazole);1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine
CID 160291982

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one?
The IUPAC name of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one (CID 158462714) is 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one?
The canonical SMILES for 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one is C=S1(=O)CCN(C(C)(C)C)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CN(c2ncccc2F)C1.CC(C)(C)C1CN(c2ncccn2)C1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)c1ncco1.CC(C)(C)n1cccc1C1CC1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CCc1nccn1C(C)(C)C.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.Cc1cnc(C(C)(C)C)n1C.Cc1nccn1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cncc1C(C)(C)C.[C-]#[N+]c1cccn1C(C)(C)C.
What is the InChIKey of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one?
The InChIKey is HFJMDHAREDVUJG-MBTGKWMKSA-N. The full InChI is InChI=1S/C12H17FN2.C12H25N.C11H17N3.C11H22N2.C11H24N2.C11H17N.C11H23N.C10H21N.C10H20.C9H17F2N.C9H16N2.C9H12N2.C9H16N2.C9H19NOS.2C9H19NO.C9H17NO.3C9H19N.C8H15F2N.C8H16FN.3C8H14N2.C8H17NO.C8H15NO.C7H13F2N.C7H11NO.C7H15N/c1-12(2,3)9-7-15(8-9)11-10(13)5-4-6-14-11;1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-11(2,3)9-7-14(8-9)10-12-5-4-6-13-10;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-11(2,3)12-8-4-5-10(12)9-6-7-9;1-5-12-8-6-10(7-9-12)11(2,3)4;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)12-6-4-9(10,11)5-7-12;1-7-6-10-8(11(7)5)9(2,3)4;1-9(2,3)11-7-5-6-8(11)10-4;1-5-8-10-6-7-11(8)9(2,3)4;1-9(2,3)10-5-7-12(4,11)8-6-10;2*1-9(2,3)10-6-5-8(7-10)11-4;1-9(2,3)10-7-5-4-6-8(10)11;3*1-8-5-6-10(7-8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-9-5-6-10(7)4;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-8-4-5-9-6;1-7(2,3)8-5-4-6-8/h4-6,9H,7-8H2,1-3H3;10-11H,6-9H2,1-5H3;4-6,9H,7-8H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;4-5,8-9H,6-7H2,1-3H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;6H,1-5H3;5-7H,1-3H3;6-7H,5H2,1-4H3;4-8H2,1-3H3;2*8H,5-7H2,1-4H3;4-7H2,1-3H3;3*8H,5-7H2,1-4H3;4-6H2,1-3H3;7H,4-6H2,1-3H3;3*5-6H,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-6H2,1-3H3/t;;;;;;;;;;;;;;2*8-;;3*8-;;7-;;;;;;;;/m..............10.110.0......../s1.
What are the key properties of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one?
1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one has a molecular weight of 4685.53 g/mol, XLogP of 61.81, 10 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2-cyclopropylpyrrole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylimidazole;4-tert-butyl-1-ethylpiperidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-isocyanopyrrole;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 158462714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).