4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine

C164H285N23O15S2 — CID 159773381

IUPAC4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCC(C)(C)C(=O)NCCCN1CCOCC1.CC(C)(C)NC(=O)N1CCCC1.CC(C)c1ccc(CN2CCCC2)cc1.CCN(CCOC)Cc1ccc(C)cc1.CCn1cc(C(C)(C)C)cn1.CCn1cnc(C(C)(C)C)c1.CN(C)[C@@H]1CCN(C(=O)C(C)(C)C)C1.CNCCNCc1ccc(C(C)C)cc1.COCCNCc1cnc(C(C)(C)C)n1C.COCCNCc1cnc(C(C)(C)C)s1.COCCNc1ccccc1C(C)C.COCCS(=O)(=O)Cc1ccc(C(C)C)cc1.COCCn1cnc(C(C)(C)C)c1.COc1cc(C(C)C)ccc1OCCN1CCOCC1
InChIInChI=1S/C16H25NO3.C14H21N.C13H22N2.C13H21NO.C13H20O3S.C12H23N3O.C12H24N2O2.C12H19NO.C11H20N2OS.C11H22N2O.C10H18N2O.C9H18N2O.2C9H16N2/c1-13(2)14-4-5-15(16(12-14)18-3)20-11-8-17-6-9-19-10-7-17;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-11(2)13-6-4-12(5-7-13)10-15-9-8-14-3;1-4-14(9-10-15-3)11-13-7-5-12(2)6-8-13;1-11(2)13-6-4-12(5-7-13)10-17(14,15)9-8-16-3;1-12(2,3)11-14-9-10(15(11)4)8-13-6-7-16-5;1-12(2,3)11(15)13-5-4-6-14-7-9-16-10-8-14;1-10(2)11-6-4-5-7-12(11)13-8-9-14-3;1-11(2,3)10-13-8-9(15-10)7-12-5-6-14-4;1-11(2,3)10(14)13-7-6-9(8-13)12(4)5;1-10(2,3)9-7-12(8-11-9)5-6-13-4;1-9(2,3)10-8(12)11-6-4-5-7-11;1-5-11-6-8(10-7-11)9(2,3)4;1-5-11-7-8(6-10-11)9(2,3)4/h4-5,12-13H,6-11H2,1-3H3;5-8,12H,3-4,9-11H2,1-2H3;4-7,11,14-15H,8-10H2,1-3H3;5-8H,4,9-11H2,1-3H3;4-7,11H,8-10H2,1-3H3;9,13H,6-8H2,1-5H3;4-10H2,1-3H3,(H,13,15);4-7,10,13H,8-9H2,1-3H3;8,12H,5-7H2,1-4H3;9H,6-8H2,1-5H3;7-8H,5-6H2,1-4H3;4-7H2,1-3H3,(H,10,12);2*6-7H,5H2,1-4H3/t;;;;;;;;;9-;;;;/m.........1..../s1
InChIKeyNGKINCGKTOAKIV-KQWFEXSNSA-N
MW2883.36 g/mol
LogP29.27
Rot. Bonds52

About 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine

4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine (PubChem CID 159773381) has the molecular formula C164H285N23O15S2 and a molecular weight of 2883.36 g/mol. Its IUPAC name is 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
PubChem CID159773381
Molecular FormulaC164H285N23O15S2
Molecular Weight2883.36 g/mol
Exact Mass2881.17
IUPAC Name4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCC(C)(C)C(=O)NCCCN1CCOCC1.CC(C)(C)NC(=O)N1CCCC1.CC(C)c1ccc(CN2CCCC2)cc1.CCN(CCOC)Cc1ccc(C)cc1.CCn1cc(C(C)(C)C)cn1.CCn1cnc(C(C)(C)C)c1.CN(C)[C@@H]1CCN(C(=O)C(C)(C)C)C1.CNCCNCc1ccc(C(C)C)cc1.COCCNCc1cnc(C(C)(C)C)n1C.COCCNCc1cnc(C(C)(C)C)s1.COCCNc1ccccc1C(C)C.COCCS(=O)(=O)Cc1ccc(C(C)C)cc1.COCCn1cnc(C(C)(C)C)c1.COc1cc(C(C)C)ccc1OCCN1CCOCC1
InChIInChI=1S/C16H25NO3.C14H21N.C13H22N2.C13H21NO.C13H20O3S.C12H23N3O.C12H24N2O2.C12H19NO.C11H20N2OS.C11H22N2O.C10H18N2O.C9H18N2O.2C9H16N2/c1-13(2)14-4-5-15(16(12-14)18-3)20-11-8-17-6-9-19-10-7-17;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-11(2)13-6-4-12(5-7-13)10-15-9-8-14-3;1-4-14(9-10-15-3)11-13-7-5-12(2)6-8-13;1-11(2)13-6-4-12(5-7-13)10-17(14,15)9-8-16-3;1-12(2,3)11-14-9-10(15(11)4)8-13-6-7-16-5;1-12(2,3)11(15)13-5-4-6-14-7-9-16-10-8-14;1-10(2)11-6-4-5-7-12(11)13-8-9-14-3;1-11(2,3)10-13-8-9(15-10)7-12-5-6-14-4;1-11(2,3)10(14)13-7-6-9(8-13)12(4)5;1-10(2,3)9-7-12(8-11-9)5-6-13-4;1-9(2,3)10-8(12)11-6-4-5-7-11;1-5-11-6-8(10-7-11)9(2,3)4;1-5-11-7-8(6-10-11)9(2,3)4/h4-5,12-13H,6-11H2,1-3H3;5-8,12H,3-4,9-11H2,1-2H3;4-7,11,14-15H,8-10H2,1-3H3;5-8H,4,9-11H2,1-3H3;4-7,11H,8-10H2,1-3H3;9,13H,6-8H2,1-5H3;4-10H2,1-3H3,(H,13,15);4-7,10,13H,8-9H2,1-3H3;8,12H,5-7H2,1-4H3;9H,6-8H2,1-5H3;7-8H,5-6H2,1-4H3;4-7H2,1-3H3,(H,10,12);2*6-7H,5H2,1-4H3/t;;;;;;;;;9-;;;;/m.........1..../s1
InChIKeyNGKINCGKTOAKIV-KQWFEXSNSA-N
XLogP29.27
TPSA368.71 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002883.36
LogP ≤ 529.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-N-cyclopropylpyridin-2-amine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;3,3-dimethylbutan-2-yloxymethylcyclopropane;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
CID 158901892
5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decan-2-one;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
CID 160103480
5-tert-butyl-N-cyclopropylpyridin-2-amine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;3,3-dimethylbutan-2-yloxymethylcyclopropane;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane
CID 161041238
5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 158759767
2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-5-ethylsulfonylpyrimidine;N-[5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide;N-[5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[5-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 161446001
CID 161462612
CID 161462612
5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;N,N-dimethyl-4-propan-2-ylaniline;2-methoxy-4-propan-2-ylphenol;2-methoxy-N-[(3-propan-2-ylphenyl)methyl]ethanamine;4-(4-methylpentyl)morpholine;1-methylsulfonyl-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(3-propan-2-ylphenyl)methyl]ethanamine;4-propan-2-ylphenol;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 161601536

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The IUPAC name of 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine (CID 159773381) is 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The canonical SMILES for 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine is CC(C)(C)C(=O)NCCCN1CCOCC1.CC(C)(C)NC(=O)N1CCCC1.CC(C)c1ccc(CN2CCCC2)cc1.CCN(CCOC)Cc1ccc(C)cc1.CCn1cc(C(C)(C)C)cn1.CCn1cnc(C(C)(C)C)c1.CN(C)[C@@H]1CCN(C(=O)C(C)(C)C)C1.CNCCNCc1ccc(C(C)C)cc1.COCCNCc1cnc(C(C)(C)C)n1C.COCCNCc1cnc(C(C)(C)C)s1.COCCNc1ccccc1C(C)C.COCCS(=O)(=O)Cc1ccc(C(C)C)cc1.COCCn1cnc(C(C)(C)C)c1.COc1cc(C(C)C)ccc1OCCN1CCOCC1.
What is the InChIKey of 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The InChIKey is NGKINCGKTOAKIV-KQWFEXSNSA-N. The full InChI is InChI=1S/C16H25NO3.C14H21N.C13H22N2.C13H21NO.C13H20O3S.C12H23N3O.C12H24N2O2.C12H19NO.C11H20N2OS.C11H22N2O.C10H18N2O.C9H18N2O.2C9H16N2/c1-13(2)14-4-5-15(16(12-14)18-3)20-11-8-17-6-9-19-10-7-17;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-11(2)13-6-4-12(5-7-13)10-15-9-8-14-3;1-4-14(9-10-15-3)11-13-7-5-12(2)6-8-13;1-11(2)13-6-4-12(5-7-13)10-17(14,15)9-8-16-3;1-12(2,3)11-14-9-10(15(11)4)8-13-6-7-16-5;1-12(2,3)11(15)13-5-4-6-14-7-9-16-10-8-14;1-10(2)11-6-4-5-7-12(11)13-8-9-14-3;1-11(2,3)10-13-8-9(15-10)7-12-5-6-14-4;1-11(2,3)10(14)13-7-6-9(8-13)12(4)5;1-10(2,3)9-7-12(8-11-9)5-6-13-4;1-9(2,3)10-8(12)11-6-4-5-7-11;1-5-11-6-8(10-7-11)9(2,3)4;1-5-11-7-8(6-10-11)9(2,3)4/h4-5,12-13H,6-11H2,1-3H3;5-8,12H,3-4,9-11H2,1-2H3;4-7,11,14-15H,8-10H2,1-3H3;5-8H,4,9-11H2,1-3H3;4-7,11H,8-10H2,1-3H3;9,13H,6-8H2,1-5H3;4-10H2,1-3H3,(H,13,15);4-7,10,13H,8-9H2,1-3H3;8,12H,5-7H2,1-4H3;9H,6-8H2,1-5H3;7-8H,5-6H2,1-4H3;4-7H2,1-3H3,(H,10,12);2*6-7H,5H2,1-4H3/t;;;;;;;;;9-;;;;/m.........1..../s1.
What are the key properties of 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine has a molecular weight of 2883.36 g/mol, XLogP of 29.27, 52 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethylimidazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)imidazole;N-[(2-tert-butyl-3-methylimidazol-4-yl)methyl]-2-methoxyethanamine;N-tert-butylpyrrolidine-1-carboxamide;N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-N-(3-morpholin-4-ylpropyl)propanamide;N-ethyl-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine;N-(2-methoxyethyl)-2-propan-2-ylaniline;1-(2-methoxyethylsulfonylmethyl)-4-propan-2-ylbenzene;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;N-methyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 159773381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).