2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate

C128H203N15O11S2 — CID 158307975

IUPAC2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
SMILESCC(C)(C)c1cc(CC2COC2)ncn1.CC(C)(C)c1cc(NC2CCOCC2)n[nH]1.CC(C)(C)c1cccc(N2CCS(=O)(=O)CC2)c1.CC(C)(C)c1cccc(OC2CCN(S(C)(=O)=O)C2)c1.CCOC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.C[C@@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.C[C@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C19H30N2O2.C16H26N2.2C16H25NO.C15H23NO3S.C14H21NO2S.C12H21N3O.C12H18N2O.C8H14N2/c1-5-23-18(22)15-21-11-9-20(10-12-21)14-16-7-6-8-17(13-16)19(2,3)4;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;2*1-12-10-15(8-9-18-12)17-14-7-5-6-13(11-14)16(2,3)4;1-15(2,3)12-6-5-7-13(10-12)19-14-8-9-16(11-14)20(4,17)18;1-14(2,3)12-5-4-6-13(11-12)15-7-9-18(16,17)10-8-15;1-12(2,3)10-8-11(15-14-10)13-9-4-6-16-7-5-9;1-12(2,3)11-5-10(13-8-14-11)4-9-6-15-7-9;1-8(2,3)7-9-5-6-10(7)4/h6-8,13H,5,9-12,14-15H2,1-4H3;5-8H,9-13H2,1-4H3;2*5-7,11-12,15,17H,8-10H2,1-4H3;5-7,10,14H,8-9,11H2,1-4H3;4-6,11H,7-10H2,1-3H3;8-9H,4-7H2,1-3H3,(H2,13,14,15);5,8-9H,4,6-7H2,1-3H3;5-6H,1-4H3/t;;2*12-,15?;;;;;/m..10...../s1
InChIKeyGNIARGXTBKUHAP-XFTQLOKSSA-N
MW2192.26 g/mol
LogP23.92
Rot. Bonds19

About 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate

2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate (PubChem CID 158307975) has the molecular formula C128H203N15O11S2 and a molecular weight of 2192.26 g/mol. Its IUPAC name is 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Name2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
PubChem CID158307975
Molecular FormulaC128H203N15O11S2
Molecular Weight2192.26 g/mol
Exact Mass2190.52
IUPAC Name2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
SMILESCC(C)(C)c1cc(CC2COC2)ncn1.CC(C)(C)c1cc(NC2CCOCC2)n[nH]1.CC(C)(C)c1cccc(N2CCS(=O)(=O)CC2)c1.CC(C)(C)c1cccc(OC2CCN(S(C)(=O)=O)C2)c1.CCOC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.C[C@@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.C[C@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C19H30N2O2.C16H26N2.2C16H25NO.C15H23NO3S.C14H21NO2S.C12H21N3O.C12H18N2O.C8H14N2/c1-5-23-18(22)15-21-11-9-20(10-12-21)14-16-7-6-8-17(13-16)19(2,3)4;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;2*1-12-10-15(8-9-18-12)17-14-7-5-6-13(11-14)16(2,3)4;1-15(2,3)12-6-5-7-13(10-12)19-14-8-9-16(11-14)20(4,17)18;1-14(2,3)12-5-4-6-13(11-12)15-7-9-18(16,17)10-8-15;1-12(2,3)10-8-11(15-14-10)13-9-4-6-16-7-5-9;1-12(2,3)11-5-10(13-8-14-11)4-9-6-15-7-9;1-8(2,3)7-9-5-6-10(7)4/h6-8,13H,5,9-12,14-15H2,1-4H3;5-8H,9-13H2,1-4H3;2*5-7,11-12,15,17H,8-10H2,1-4H3;5-7,10,14H,8-9,11H2,1-4H3;4-6,11H,7-10H2,1-3H3;8-9H,4-7H2,1-3H3,(H2,13,14,15);5,8-9H,4,6-7H2,1-3H3;5-6H,1-4H3/t;;2*12-,15?;;;;;/m..10...../s1
InChIKeyGNIARGXTBKUHAP-XFTQLOKSSA-N
XLogP23.92
TPSA268.54 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002192.26
LogP ≤ 523.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate with MolForge

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Related Compounds

2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one
CID 157521056
2-tert-butyl-1-methylimidazole;4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;methane
CID 157365976
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 157493374
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate;methane
CID 157527476
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 157837378
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one
CID 157852621
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 158225124
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 158572411
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 158621349
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 159058450
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 159243564
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 159442824

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate?
The IUPAC name of 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate (CID 158307975) is 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate.
What is the SMILES notation for 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate?
The canonical SMILES for 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate is CC(C)(C)c1cc(CC2COC2)ncn1.CC(C)(C)c1cc(NC2CCOCC2)n[nH]1.CC(C)(C)c1cccc(N2CCS(=O)(=O)CC2)c1.CC(C)(C)c1cccc(OC2CCN(S(C)(=O)=O)C2)c1.CCOC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.C[C@@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.C[C@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.Cn1ccnc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate?
The InChIKey is GNIARGXTBKUHAP-XFTQLOKSSA-N. The full InChI is InChI=1S/C19H30N2O2.C16H26N2.2C16H25NO.C15H23NO3S.C14H21NO2S.C12H21N3O.C12H18N2O.C8H14N2/c1-5-23-18(22)15-21-11-9-20(10-12-21)14-16-7-6-8-17(13-16)19(2,3)4;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;2*1-12-10-15(8-9-18-12)17-14-7-5-6-13(11-14)16(2,3)4;1-15(2,3)12-6-5-7-13(10-12)19-14-8-9-16(11-14)20(4,17)18;1-14(2,3)12-5-4-6-13(11-12)15-7-9-18(16,17)10-8-15;1-12(2,3)10-8-11(15-14-10)13-9-4-6-16-7-5-9;1-12(2,3)11-5-10(13-8-14-11)4-9-6-15-7-9;1-8(2,3)7-9-5-6-10(7)4/h6-8,13H,5,9-12,14-15H2,1-4H3;5-8H,9-13H2,1-4H3;2*5-7,11-12,15,17H,8-10H2,1-4H3;5-7,10,14H,8-9,11H2,1-4H3;4-6,11H,7-10H2,1-3H3;8-9H,4-7H2,1-3H3,(H2,13,14,15);5,8-9H,4,6-7H2,1-3H3;5-6H,1-4H3/t;;2*12-,15?;;;;;/m..10...../s1.
What are the key properties of 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate?
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate has a molecular weight of 2192.26 g/mol, XLogP of 23.92, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 158307975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).