1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine

C201H412F5N25O18S — CID 165087226

IUPAC1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine
SMILESC.C.C.C.C.C.C.C.C.CC(C)(C)CCCN1CCCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)NC(=O)c1ccccn1.CC(C)(C)OC1CCOCC1.CC(C)(C)OCC(=O)N1CCCC1.CC(C)(C)OCCN1CC(F)(F)C1.CC(C)(C)OCCN1CCCC1=O.CC(C)(C)S(N)(=O)=O.CC(C)(C)n1ccnc1.CC1(F)CCN(CCOC(C)(C)C)C1.CN(C)C1CC(C(C)(C)C)C1.CN(C)CC#CC(C)(C)C.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC(OC(C)(C)C)CC1.CN1CCOC[C@H]1COC(C)(C)C.CO[C@H]1CCN(CCOC(C)(C)C)C1.Cn1cc(OC(C)(C)C)cn1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/C11H22FNO.C11H22N2.C11H23NO2.C11H23N.C10H14N2O.C10H21NO2.2C10H19NO2.C10H21NO.2C10H21N.C9H17F2NO.C9H17N.C9H18O2.C8H15F2N.C8H14N2O.C8H14N2.C8H15NO.C8H17N.C7H12N2.C4H11NO2S.9CH4/c1-10(2,3)14-8-7-13-6-5-11(4,12)9-13;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)14-8-7-12-6-5-10(9-12)13-4;1-11(2,3)7-6-10-12-8-4-5-9-12;1-10(2,3)12-9(13)8-6-4-5-7-11-8;1-10(2,3)13-8-9-7-12-6-5-11(9)4;1-10(2,3)13-8-7-11-6-4-5-9(11)12;1-10(2,3)13-8-9(12)11-6-4-5-7-11;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)8-6-9(7-8)11(4)5;1-10(2,3)6-9-11-7-4-5-8-11;1-8(2,3)13-5-4-12-6-9(10,11)7-12;1-9(2,3)7-6-8-10(4)5;1-9(2,3)11-8-4-6-10-7-5-8;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;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-4(2,3)8(5,6)7;;;;;;;;;/h5-9H2,1-4H3;9-10H,5-8H2,1-4H3;10H,5-9H2,1-4H3;4-10H2,1-3H3;4-7H,1-3H3,(H,12,13);9H,5-8H2,1-4H3;2*4-8H2,1-3H3;9H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;4-9H2,1-3H3;4-7H2,1-3H3;8H2,1-5H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;5-6H,1-4H3;4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;1-3H3,(H2,5,6,7);9*1H4/t;;10-;;;9-;;;;;;;;;;;;;;;;;;;;;;;;/m..0..0......................../s1
InChIKeyWCHITYSONFDKIV-CGLWLKAESA-N
MW3594.72 g/mol
LogP41.82
Rot. Bonds28

About 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine

1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine (PubChem CID 165087226) has the molecular formula C201H412F5N25O18S and a molecular weight of 3594.72 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine
PubChem CID165087226
Molecular FormulaC201H412F5N25O18S
Molecular Weight3594.72 g/mol
Exact Mass3592.17
IUPAC Name1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine
SMILESC.C.C.C.C.C.C.C.C.CC(C)(C)CCCN1CCCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)NC(=O)c1ccccn1.CC(C)(C)OC1CCOCC1.CC(C)(C)OCC(=O)N1CCCC1.CC(C)(C)OCCN1CC(F)(F)C1.CC(C)(C)OCCN1CCCC1=O.CC(C)(C)S(N)(=O)=O.CC(C)(C)n1ccnc1.CC1(F)CCN(CCOC(C)(C)C)C1.CN(C)C1CC(C(C)(C)C)C1.CN(C)CC#CC(C)(C)C.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC(OC(C)(C)C)CC1.CN1CCOC[C@H]1COC(C)(C)C.CO[C@H]1CCN(CCOC(C)(C)C)C1.Cn1cc(OC(C)(C)C)cn1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/C11H22FNO.C11H22N2.C11H23NO2.C11H23N.C10H14N2O.C10H21NO2.2C10H19NO2.C10H21NO.2C10H21N.C9H17F2NO.C9H17N.C9H18O2.C8H15F2N.C8H14N2O.C8H14N2.C8H15NO.C8H17N.C7H12N2.C4H11NO2S.9CH4/c1-10(2,3)14-8-7-13-6-5-11(4,12)9-13;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)14-8-7-12-6-5-10(9-12)13-4;1-11(2,3)7-6-10-12-8-4-5-9-12;1-10(2,3)12-9(13)8-6-4-5-7-11-8;1-10(2,3)13-8-9-7-12-6-5-11(9)4;1-10(2,3)13-8-7-11-6-4-5-9(11)12;1-10(2,3)13-8-9(12)11-6-4-5-7-11;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)8-6-9(7-8)11(4)5;1-10(2,3)6-9-11-7-4-5-8-11;1-8(2,3)13-5-4-12-6-9(10,11)7-12;1-9(2,3)7-6-8-10(4)5;1-9(2,3)11-8-4-6-10-7-5-8;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;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-4(2,3)8(5,6)7;;;;;;;;;/h5-9H2,1-4H3;9-10H,5-8H2,1-4H3;10H,5-9H2,1-4H3;4-10H2,1-3H3;4-7H,1-3H3,(H,12,13);9H,5-8H2,1-4H3;2*4-8H2,1-3H3;9H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;4-9H2,1-3H3;4-7H2,1-3H3;8H2,1-5H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;5-6H,1-4H3;4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;1-3H3,(H2,5,6,7);9*1H4/t;;10-;;;9-;;;;;;;;;;;;;;;;;;;;;;;;/m..0..0......................../s1
InChIKeyWCHITYSONFDKIV-CGLWLKAESA-N
XLogP41.82
TPSA369.42 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003594.72
LogP ≤ 541.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine with MolForge

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Launch Full Analysis

Related Compounds

CID 165008882
CID 165008882

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine?
The IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine (CID 165087226) is 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine.
What is the SMILES notation for 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine?
The canonical SMILES for 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine is C.C.C.C.C.C.C.C.C.CC(C)(C)CCCN1CCCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)NC(=O)c1ccccn1.CC(C)(C)OC1CCOCC1.CC(C)(C)OCC(=O)N1CCCC1.CC(C)(C)OCCN1CC(F)(F)C1.CC(C)(C)OCCN1CCCC1=O.CC(C)(C)S(N)(=O)=O.CC(C)(C)n1ccnc1.CC1(F)CCN(CCOC(C)(C)C)C1.CN(C)C1CC(C(C)(C)C)C1.CN(C)CC#CC(C)(C)C.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC(OC(C)(C)C)CC1.CN1CCOC[C@H]1COC(C)(C)C.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;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine?
The InChIKey is WCHITYSONFDKIV-CGLWLKAESA-N. The full InChI is InChI=1S/C11H22FNO.C11H22N2.C11H23NO2.C11H23N.C10H14N2O.C10H21NO2.2C10H19NO2.C10H21NO.2C10H21N.C9H17F2NO.C9H17N.C9H18O2.C8H15F2N.C8H14N2O.C8H14N2.C8H15NO.C8H17N.C7H12N2.C4H11NO2S.9CH4/c1-10(2,3)14-8-7-13-6-5-11(4,12)9-13;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)14-8-7-12-6-5-10(9-12)13-4;1-11(2,3)7-6-10-12-8-4-5-9-12;1-10(2,3)12-9(13)8-6-4-5-7-11-8;1-10(2,3)13-8-9-7-12-6-5-11(9)4;1-10(2,3)13-8-7-11-6-4-5-9(11)12;1-10(2,3)13-8-9(12)11-6-4-5-7-11;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)8-6-9(7-8)11(4)5;1-10(2,3)6-9-11-7-4-5-8-11;1-8(2,3)13-5-4-12-6-9(10,11)7-12;1-9(2,3)7-6-8-10(4)5;1-9(2,3)11-8-4-6-10-7-5-8;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;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-4(2,3)8(5,6)7;;;;;;;;;/h5-9H2,1-4H3;9-10H,5-8H2,1-4H3;10H,5-9H2,1-4H3;4-10H2,1-3H3;4-7H,1-3H3,(H,12,13);9H,5-8H2,1-4H3;2*4-8H2,1-3H3;9H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;4-9H2,1-3H3;4-7H2,1-3H3;8H2,1-5H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;5-6H,1-4H3;4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;1-3H3,(H2,5,6,7);9*1H4/t;;10-;;;9-;;;;;;;;;;;;;;;;;;;;;;;;/m..0..0......................../s1.
What are the key properties of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine?
1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine has a molecular weight of 3594.72 g/mol, XLogP of 41.82, 28 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-N,N-dimethylcyclobutan-1-amine;1-tert-butylimidazole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-tert-butyl-1-methylimidazole;N-tert-butylpyridine-2-carboxamide;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;methane;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]morpholine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrazole;2-methylpropane-2-sulfonamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine is sourced from PubChem (CID 165087226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).