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

C244H476F6N32O5S — CID 158312252

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-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
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)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1(F)CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.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.C[C@H]1CCN(C(C)(C)C)C1.Cc1cccn1C(C)(C)C.Cc1cnc(C(C)(C)C)n1C.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C12H17FN2.C12H25N.C11H17N3.C11H22N2.C11H24N2.C11H23N.C10H21N.C10H20.C9H17F2N.C9H18FN.C9H16N2.C9H19NOS.2C9H19NO.C9H17NO.4C9H19N.2C9H15N.C9H19N.C8H14N2.C8H15NO.C7H13F2N.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;1-5-12-8-6-10(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;1-8(2,3)11-6-5-9(4,10)7-11;1-7-6-10-8(11(7)5)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;4*1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)8-6-5-7-10(8)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)7-9-5-6-10(7)4;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)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;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;5-7H2,1-4H3;6H,1-5H3;4-8H2,1-3H3;2*8H,5-7H2,1-4H3;4-7H2,1-3H3;4*8H,5-7H2,1-4H3;2*5-7H,1-4H3;4-8H2,1-3H3;5-6H,1-4H3;4-6H2,1-3H3;4-5H2,1-3H3;4-6H2,1-3H3/t;;;;;;;;;;;;2*8-;;4*8-;;;;;;;/m............10.1100......./s1
InChIKeyGNUYJZBWPKULEG-LSLQCQLXSA-N
MW4084.77 g/mol
LogP54.47
Rot. Bonds8

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-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

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 (PubChem CID 158312252) has the molecular formula C244H476F6N32O5S and a molecular weight of 4084.77 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-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.

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-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
PubChem CID158312252
Molecular FormulaC244H476F6N32O5S
Molecular Weight4084.77 g/mol
Exact Mass4081.76
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-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
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)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1(F)CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.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.C[C@H]1CCN(C(C)(C)C)C1.Cc1cccn1C(C)(C)C.Cc1cnc(C(C)(C)C)n1C.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C12H17FN2.C12H25N.C11H17N3.C11H22N2.C11H24N2.C11H23N.C10H21N.C10H20.C9H17F2N.C9H18FN.C9H16N2.C9H19NOS.2C9H19NO.C9H17NO.4C9H19N.2C9H15N.C9H19N.C8H14N2.C8H15NO.C7H13F2N.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;1-5-12-8-6-10(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;1-8(2,3)11-6-5-9(4,10)7-11;1-7-6-10-8(11(7)5)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;4*1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)8-6-5-7-10(8)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)7-9-5-6-10(7)4;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)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;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;5-7H2,1-4H3;6H,1-5H3;4-8H2,1-3H3;2*8H,5-7H2,1-4H3;4-7H2,1-3H3;4*8H,5-7H2,1-4H3;2*5-7H,1-4H3;4-8H2,1-3H3;5-6H,1-4H3;4-6H2,1-3H3;4-5H2,1-3H3;4-6H2,1-3H3/t;;;;;;;;;;;;2*8-;;4*8-;;;;;;;/m............10.1100......./s1
InChIKeyGNUYJZBWPKULEG-LSLQCQLXSA-N
XLogP54.47
TPSA228.36 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds8
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004084.77
LogP ≤ 554.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

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-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 with MolForge

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Launch Full Analysis

Related Compounds

CID 158462714
CID 158462714
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
(4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 161294311
1-tert-butylazetidine;2-(1-tert-butylazetidin-3-yl)-3-fluoropyridine;2-(1-tert-butylazetidin-3-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-4-fluoropiperidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);bis((3S)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 161525877
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;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidin-2-one;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane
CID 161537186
1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);bis((3S)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butylpyrrolidin-2-one
CID 161655025
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;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;4-tert-butyl-1-fluoro-1-methylcyclohexane;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;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;1-tert-butyl-4-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
CID 157784784
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;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;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 159762480
tert-butylcyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propanamide;N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;2-methyl-2-methylsulfonylpropane;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine
CID 160719665
(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
CID 167670473

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-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?
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-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) 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-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.
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-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?
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-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 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)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1(F)CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.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.C[C@H]1CCN(C(C)(C)C)C1.Cc1cccn1C(C)(C)C.Cc1cnc(C(C)(C)C)n1C.Cn1cccc1C(C)(C)C.Cn1ccnc1C(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-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?
The InChIKey is GNUYJZBWPKULEG-LSLQCQLXSA-N. The full InChI is InChI=1S/C12H17FN2.C12H25N.C11H17N3.C11H22N2.C11H24N2.C11H23N.C10H21N.C10H20.C9H17F2N.C9H18FN.C9H16N2.C9H19NOS.2C9H19NO.C9H17NO.4C9H19N.2C9H15N.C9H19N.C8H14N2.C8H15NO.C7H13F2N.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;1-5-12-8-6-10(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;1-8(2,3)11-6-5-9(4,10)7-11;1-7-6-10-8(11(7)5)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;4*1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)8-6-5-7-10(8)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)7-9-5-6-10(7)4;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)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;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;5-7H2,1-4H3;6H,1-5H3;4-8H2,1-3H3;2*8H,5-7H2,1-4H3;4-7H2,1-3H3;4*8H,5-7H2,1-4H3;2*5-7H,1-4H3;4-8H2,1-3H3;5-6H,1-4H3;4-6H2,1-3H3;4-5H2,1-3H3;4-6H2,1-3H3/t;;;;;;;;;;;;2*8-;;4*8-;;;;;;;/m............10.1100......./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-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?
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 has a molecular weight of 4084.77 g/mol, XLogP of 54.47, 8 rotatable bonds, 0 hydrogen bond donors, and 35 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-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 is sourced from PubChem (CID 158312252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).