1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine

C243H474F6N36O12S — CID 165008882

IUPAC1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine
SMILESCC(C)(C)CCN1CCCC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)NC(=O)c1ccccn1.CC(C)(C)OC1CCCCC1.CC(C)(C)OCCN1CC(F)(F)C1.CC(C)(C)OCCN1CCC(F)(F)C1.CC(C)(C)OCc1ccccc1.CC(C)(C)S(N)(=O)=O.CC(C)(C)n1ccnc1.CN(C)C1CN(C(C)(C)C)C1.CN(C)CC#CC(C)(C)C.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(CCN(C(C)(C)C)CC2)C1.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC(OC(C)(C)C)CC1.CN1CCC2(CCN(C(C)(C)C)C2)C1.CN1CCC2CN(C(C)(C)C)CC2C1.CN1CCC2CN(C(C)(C)C)CCC21.CN1CCCC[C@H]1COC(C)(C)C.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CO[C@H]1CCN(CCOC(C)(C)C)C1.Cn1cc(OC(C)(C)C)cn1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/C14H29N3.C14H28N2.4C12H24N2.2C11H22N2.C11H23NO2.C11H23NO.C11H16O.C10H19F2NO.C10H14N2O.C10H21NO.C10H21N.C10H20O.C9H17F2NO.C9H20N2.C9H17N.C8H15F2N.C8H14N2O.C8H14N2.C7H12N2.C4H11NO2S/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-11(2,3)14-7-5-12(6-8-14)9-13(4)10-12;1-11(2,3)14-8-6-12(10-14)5-7-13(4)9-12;1-12(2,3)14-8-6-11-10(9-14)5-7-13(11)4;1-12(2,3)14-8-10-5-6-13(4)7-11(10)9-14;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)14-8-7-12-6-5-10(9-12)13-4;1-11(2,3)13-9-10-7-5-6-8-12(10)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-9(2,3)14-7-6-13-5-4-10(11,12)8-13;1-10(2,3)12-9(13)8-6-4-5-7-11-8;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)6-9-11-7-4-5-8-11;1-10(2,3)11-9-7-5-4-6-8-9;1-8(2,3)13-5-4-12-6-9(10,11)7-12;1-9(2,3)11-6-8(7-11)10(4)5;1-9(2,3)7-6-8-10(4)5;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)11-7-5-9-10(4)6-7;1-8(2,3)7-5-10(4)6-9-7;1-7(2,3)9-5-4-8-6-9;1-4(2,3)8(5,6)7/h13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;2*5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;2*9-10H,5-8H2,1-4H3;10H,5-9H2,1-4H3;10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;4-8H2,1-3H3;4-7H,1-3H3,(H,12,13);9H,5-8H2,1-4H3;4-9H2,1-3H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;8H,6-7H2,1-5H3;8H2,1-5H3;4-6H2,1-3H3;5-6H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;1-3H3,(H2,5,6,7)/t;;;;;;;;2*10-;;;;;;;;;;;;;;/m........00............../s1
InChIKeyJJVROYMBYDMVRB-LONNJYMFSA-N
MW4238.76 g/mol
LogP43.82
Rot. Bonds24

About 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine

1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine (PubChem CID 165008882) has the molecular formula C243H474F6N36O12S and a molecular weight of 4238.76 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine
PubChem CID165008882
Molecular FormulaC243H474F6N36O12S
Molecular Weight4238.76 g/mol
Exact Mass4235.72
IUPAC Name1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine
SMILESCC(C)(C)CCN1CCCC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)NC(=O)c1ccccn1.CC(C)(C)OC1CCCCC1.CC(C)(C)OCCN1CC(F)(F)C1.CC(C)(C)OCCN1CCC(F)(F)C1.CC(C)(C)OCc1ccccc1.CC(C)(C)S(N)(=O)=O.CC(C)(C)n1ccnc1.CN(C)C1CN(C(C)(C)C)C1.CN(C)CC#CC(C)(C)C.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(CCN(C(C)(C)C)CC2)C1.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC(OC(C)(C)C)CC1.CN1CCC2(CCN(C(C)(C)C)C2)C1.CN1CCC2CN(C(C)(C)C)CC2C1.CN1CCC2CN(C(C)(C)C)CCC21.CN1CCCC[C@H]1COC(C)(C)C.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CO[C@H]1CCN(CCOC(C)(C)C)C1.Cn1cc(OC(C)(C)C)cn1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/C14H29N3.C14H28N2.4C12H24N2.2C11H22N2.C11H23NO2.C11H23NO.C11H16O.C10H19F2NO.C10H14N2O.C10H21NO.C10H21N.C10H20O.C9H17F2NO.C9H20N2.C9H17N.C8H15F2N.C8H14N2O.C8H14N2.C7H12N2.C4H11NO2S/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-11(2,3)14-7-5-12(6-8-14)9-13(4)10-12;1-11(2,3)14-8-6-12(10-14)5-7-13(4)9-12;1-12(2,3)14-8-6-11-10(9-14)5-7-13(11)4;1-12(2,3)14-8-10-5-6-13(4)7-11(10)9-14;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)14-8-7-12-6-5-10(9-12)13-4;1-11(2,3)13-9-10-7-5-6-8-12(10)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-9(2,3)14-7-6-13-5-4-10(11,12)8-13;1-10(2,3)12-9(13)8-6-4-5-7-11-8;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)6-9-11-7-4-5-8-11;1-10(2,3)11-9-7-5-4-6-8-9;1-8(2,3)13-5-4-12-6-9(10,11)7-12;1-9(2,3)11-6-8(7-11)10(4)5;1-9(2,3)7-6-8-10(4)5;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)11-7-5-9-10(4)6-7;1-8(2,3)7-5-10(4)6-9-7;1-7(2,3)9-5-4-8-6-9;1-4(2,3)8(5,6)7/h13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;2*5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;2*9-10H,5-8H2,1-4H3;10H,5-9H2,1-4H3;10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;4-8H2,1-3H3;4-7H,1-3H3,(H,12,13);9H,5-8H2,1-4H3;4-9H2,1-3H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;8H,6-7H2,1-5H3;8H2,1-5H3;4-6H2,1-3H3;5-6H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;1-3H3,(H2,5,6,7)/t;;;;;;;;2*10-;;;;;;;;;;;;;;/m........00............../s1
InChIKeyJJVROYMBYDMVRB-LONNJYMFSA-N
XLogP43.82
TPSA326.16 Ų
H-Bond Donors2
H-Bond Acceptors46
Rotatable Bonds24
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004238.76
LogP ≤ 543.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1046

Analyze 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine with MolForge

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Related Compounds

CID 165087226
CID 165087226

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine?
The IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine (CID 165008882) is 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine.
What is the SMILES notation for 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine?
The canonical SMILES for 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine is CC(C)(C)CCN1CCCC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)NC(=O)c1ccccn1.CC(C)(C)OC1CCCCC1.CC(C)(C)OCCN1CC(F)(F)C1.CC(C)(C)OCCN1CCC(F)(F)C1.CC(C)(C)OCc1ccccc1.CC(C)(C)S(N)(=O)=O.CC(C)(C)n1ccnc1.CN(C)C1CN(C(C)(C)C)C1.CN(C)CC#CC(C)(C)C.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(CCN(C(C)(C)C)CC2)C1.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC(OC(C)(C)C)CC1.CN1CCC2(CCN(C(C)(C)C)C2)C1.CN1CCC2CN(C(C)(C)C)CC2C1.CN1CCC2CN(C(C)(C)C)CCC21.CN1CCCC[C@H]1COC(C)(C)C.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CO[C@H]1CCN(CCOC(C)(C)C)C1.Cn1cc(OC(C)(C)C)cn1.Cn1cnc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine?
The InChIKey is JJVROYMBYDMVRB-LONNJYMFSA-N. The full InChI is InChI=1S/C14H29N3.C14H28N2.4C12H24N2.2C11H22N2.C11H23NO2.C11H23NO.C11H16O.C10H19F2NO.C10H14N2O.C10H21NO.C10H21N.C10H20O.C9H17F2NO.C9H20N2.C9H17N.C8H15F2N.C8H14N2O.C8H14N2.C7H12N2.C4H11NO2S/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-11(2,3)14-7-5-12(6-8-14)9-13(4)10-12;1-11(2,3)14-8-6-12(10-14)5-7-13(4)9-12;1-12(2,3)14-8-6-11-10(9-14)5-7-13(11)4;1-12(2,3)14-8-10-5-6-13(4)7-11(10)9-14;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)14-8-7-12-6-5-10(9-12)13-4;1-11(2,3)13-9-10-7-5-6-8-12(10)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-9(2,3)14-7-6-13-5-4-10(11,12)8-13;1-10(2,3)12-9(13)8-6-4-5-7-11-8;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)6-9-11-7-4-5-8-11;1-10(2,3)11-9-7-5-4-6-8-9;1-8(2,3)13-5-4-12-6-9(10,11)7-12;1-9(2,3)11-6-8(7-11)10(4)5;1-9(2,3)7-6-8-10(4)5;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)11-7-5-9-10(4)6-7;1-8(2,3)7-5-10(4)6-9-7;1-7(2,3)9-5-4-8-6-9;1-4(2,3)8(5,6)7/h13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;2*5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;2*9-10H,5-8H2,1-4H3;10H,5-9H2,1-4H3;10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;4-8H2,1-3H3;4-7H,1-3H3,(H,12,13);9H,5-8H2,1-4H3;4-9H2,1-3H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;8H,6-7H2,1-5H3;8H2,1-5H3;4-6H2,1-3H3;5-6H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;1-3H3,(H2,5,6,7)/t;;;;;;;;2*10-;;;;;;;;;;;;;;/m........00............../s1.
What are the key properties of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine?
1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine has a molecular weight of 4238.76 g/mol, XLogP of 43.82, 24 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;4-tert-butyl-1-methylimidazole;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;N-tert-butylpyridine-2-carboxamide;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;(2-methylpropan-2-yl)oxycyclohexane;(2-methylpropan-2-yl)oxymethylbenzene;N,N,4,4-tetramethylpent-2-yn-1-amine is sourced from PubChem (CID 165008882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).