7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine

C203H407F4N13O13S — CID 162214493

IUPAC7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine
SMILESC=S(=O)(CCC)C(C)(C)C.CC(C)(C)C(=O)CC1CCCC1.CC(C)(C)C(=O)NCCO.CC(C)(C)C1C2CCC1C(N)C2.CC(C)(C)C1CC1.CC(C)(C)CC(O)CO.CC(C)(C)CC1CCCN1.CC(C)(C)CC1CN2CCC1CC2.CC(C)(C)CCC1CCCCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CCOC1CCNC1.CC(C)(C)CCOCC(F)(F)F.CC(C)(C)CCOCC1CCNC1.CC(C)(C)CCOc1cccnc1.CC(C)(C)CCc1ccc(F)cc1.CC(C)(C)CCn1ccnc1.CCC(C)(C)C.CCC(C)(C)C.CCN1CCCC(C(C)(C)C)C1.CN(C)CCC(C)(C)C.CNC1COC(CC(C)(C)C)C1.COCCC(C)(C)C
InChIInChI=1S/C12H17F.C12H23N.C12H24.C11H23NO.C11H17NO.C11H21N.C11H23N.C11H20O.3C10H21NO.C9H16N2.C9H19N.C8H15F3O.C8H19N.C8H18OS.C7H15NO2.C7H16O2.C7H16O.C7H14.2C6H14/c1-12(2,3)9-8-10-4-6-11(13)7-5-10;1-12(2,3)8-11-9-13-6-4-10(11)5-7-13;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)5-7-13-9-10-4-6-12-8-10;1-11(2,3)6-8-13-10-5-4-7-12-9-10;1-11(2,3)10-7-4-5-8(10)9(12)6-7;1-5-12-8-6-7-10(9-12)11(2,3)4;1-11(2,3)10(12)8-9-6-4-5-7-9;1-10(2,3)6-9-5-8(11-4)7-12-9;1-10(2,3)5-7-12-9-4-6-11-8-9;1-10(2,3)4-5-11-6-8-12-9-7-11;1-9(2,3)4-6-11-7-5-10-8-11;1-9(2,3)7-8-5-4-6-10-8;1-7(2,3)4-5-12-6-8(9,10)11;1-8(2,3)6-7-9(4)5;1-6-7-10(5,9)8(2,3)4;1-7(2,3)6(10)8-4-5-9;1-7(2,3)4-6(9)5-8;1-7(2,3)5-6-8-4;1-7(2,3)6-4-5-6;2*1-5-6(2,3)4/h4-7H,8-9H2,1-3H3;10-11H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10,12H,4-9H2,1-3H3;4-5,7,9H,6,8H2,1-3H3;7-10H,4-6,12H2,1-3H3;10H,5-9H2,1-4H3;9H,4-8H2,1-3H3;8-9,11H,5-7H2,1-4H3;9,11H,4-8H2,1-3H3;4-9H2,1-3H3;5,7-8H,4,6H2,1-3H3;8,10H,4-7H2,1-3H3;4-6H2,1-3H3;6-7H2,1-5H3;5-7H2,1-4H3;9H,4-5H2,1-3H3,(H,8,10);6,8-9H,4-5H2,1-3H3;5-6H2,1-4H3;6H,4-5H2,1-3H3;2*5H2,1-4H3
InChIKeyZTHAHICYQJYNLD-UHFFFAOYSA-N
MW3346.63 g/mol
LogP51.32
Rot. Bonds38

About 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine

7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine (PubChem CID 162214493) has the molecular formula C203H407F4N13O13S and a molecular weight of 3346.63 g/mol. Its IUPAC name is 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine.

Molecular Properties

Compound Name7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine
PubChem CID162214493
Molecular FormulaC203H407F4N13O13S
Molecular Weight3346.63 g/mol
Exact Mass3344.12
IUPAC Name7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine
SMILESC=S(=O)(CCC)C(C)(C)C.CC(C)(C)C(=O)CC1CCCC1.CC(C)(C)C(=O)NCCO.CC(C)(C)C1C2CCC1C(N)C2.CC(C)(C)C1CC1.CC(C)(C)CC(O)CO.CC(C)(C)CC1CCCN1.CC(C)(C)CC1CN2CCC1CC2.CC(C)(C)CCC1CCCCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CCOC1CCNC1.CC(C)(C)CCOCC(F)(F)F.CC(C)(C)CCOCC1CCNC1.CC(C)(C)CCOc1cccnc1.CC(C)(C)CCc1ccc(F)cc1.CC(C)(C)CCn1ccnc1.CCC(C)(C)C.CCC(C)(C)C.CCN1CCCC(C(C)(C)C)C1.CN(C)CCC(C)(C)C.CNC1COC(CC(C)(C)C)C1.COCCC(C)(C)C
InChIInChI=1S/C12H17F.C12H23N.C12H24.C11H23NO.C11H17NO.C11H21N.C11H23N.C11H20O.3C10H21NO.C9H16N2.C9H19N.C8H15F3O.C8H19N.C8H18OS.C7H15NO2.C7H16O2.C7H16O.C7H14.2C6H14/c1-12(2,3)9-8-10-4-6-11(13)7-5-10;1-12(2,3)8-11-9-13-6-4-10(11)5-7-13;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)5-7-13-9-10-4-6-12-8-10;1-11(2,3)6-8-13-10-5-4-7-12-9-10;1-11(2,3)10-7-4-5-8(10)9(12)6-7;1-5-12-8-6-7-10(9-12)11(2,3)4;1-11(2,3)10(12)8-9-6-4-5-7-9;1-10(2,3)6-9-5-8(11-4)7-12-9;1-10(2,3)5-7-12-9-4-6-11-8-9;1-10(2,3)4-5-11-6-8-12-9-7-11;1-9(2,3)4-6-11-7-5-10-8-11;1-9(2,3)7-8-5-4-6-10-8;1-7(2,3)4-5-12-6-8(9,10)11;1-8(2,3)6-7-9(4)5;1-6-7-10(5,9)8(2,3)4;1-7(2,3)6(10)8-4-5-9;1-7(2,3)4-6(9)5-8;1-7(2,3)5-6-8-4;1-7(2,3)6-4-5-6;2*1-5-6(2,3)4/h4-7H,8-9H2,1-3H3;10-11H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10,12H,4-9H2,1-3H3;4-5,7,9H,6,8H2,1-3H3;7-10H,4-6,12H2,1-3H3;10H,5-9H2,1-4H3;9H,4-8H2,1-3H3;8-9,11H,5-7H2,1-4H3;9,11H,4-8H2,1-3H3;4-9H2,1-3H3;5,7-8H,4,6H2,1-3H3;8,10H,4-7H2,1-3H3;4-6H2,1-3H3;6-7H2,1-5H3;5-7H2,1-4H3;9H,4-5H2,1-3H3,(H,8,10);6,8-9H,4-5H2,1-3H3;5-6H2,1-4H3;6H,4-5H2,1-3H3;2*5H2,1-4H3
InChIKeyZTHAHICYQJYNLD-UHFFFAOYSA-N
XLogP51.32
TPSA306.35 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds38
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003346.63
LogP ≤ 551.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-bromo-3,3-dimethylbutane;bis(tert-butylcyclohexane);4-tert-butyl-1-methylpiperidine;4-tert-butylpiperidine;3,3-dimethylbutan-1-amine;2-(3,3-dimethylbutoxy)ethanamine;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperazine;tris(1-(3,3-dimethylbutyl)piperidine);6,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;bis(2,2-dimethylpentane);4,4-dimethylpentane-1,2-diol;1-fluoro-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine
CID 158205262
2-(2-aminoethoxy)ethanol;2-(aminomethyl)propane-1,3-diol;5-aminopentan-1-ol;2-aminopropane-1,3-diol;(2S)-1-aminopropan-2-ol;3-aminopropan-1-ol;2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;1,4-diazepane;2,2-dimethoxyethanamine;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N',N'-dimethylpropane-1,3-diamine;ethane-1,2-diamine;3-ethylpentan-3-amine;heptane;5-(2-hydroxyethylamino)pentan-1-ol;3-imidazol-1-ylpropan-1-amine;3-(1H-imidazol-5-yl)propan-1-amine;2-methoxyethanamine;2-morpholin-4-ylethanamine;oxolan-2-ylmethanamine;2-piperidin-1-ylethanamine;propane-1,3-diamine;2-pyrrolidin-1-ylethanamine
CID 157052810
cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol
CID 158584720
2-(tert-butylamino)ethanol;6-(tert-butylamino)hexanoic acid;N-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylhydrazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;ethyl 5-[(tert-butylamino)methyl]furan-2-carboxylate;N-ethyl-2-methylpropan-2-amine;N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine;methane;2-methoxy-2-methylpropane;2-methyl-N-[(3-methylsulfonylphenyl)methyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine;2-methyl-N-prop-2-ynylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;trans-(1S,2S)-2-N-tert-butylcyclohexane-1,2-diamine
CID 161294474
2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide
CID 95871764
2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol
CID 158253332
8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 159123895
N-cyclohexyl-N,3-dimethylbutanamide;N-cyclohexyl-3-methylbutanamide;cyclohexyl 3-methylbutanoate;N,3-dimethyl-N-(3-methylbutyl)butanamide;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;1-fluoro-4-(4-methylpentyl)benzene;(4-fluorophenyl) 3-methylbutanoate;methane;3-methylbutyl 3-methylbutanoate;1-(3-methylbutyl)piperidine;methyl 3-methylbutanoate;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methylpentylbenzene;3-(4-methylpentyl)pyridine;1-(4-methylpentyl)-4-(trifluoromethyl)benzene;propan-2-yl 3-methylbutanoate
CID 158642501
6-[5-[2-(dimethylamino)ethyl-methylidene-oxo-λ6-sulfanyl]-3-methyl-2-pyridinyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylsulfinylpyrazol-4-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;molecular hydrogen;hydrate
CID 159545054
3-tert-butylcyclohexan-1-amine;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperazine;4-(4-methylpentyl)morpholine;2-methylpropylcyclohexane;2-methylpropylcyclopentane;3-(2-methylpropyl)-5-pyrrolidin-3-yloxypyridine;4-(2-methylpropyl)-5-pyrrolidin-3-yl-1H-pyrazole;1-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-propan-2-ylazepan-2-one;1-(4-propan-2-ylpyrrolidin-2-yl)ethanone;7-propan-2-ylspiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclobutane];2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-(2,4,4-trimethylpentan-2-yl)morpholine
CID 167573344
2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
CID 162091948
N-benzyl-2-methylpropan-2-amine;4-(tert-butylamino)cyclohexan-1-ol;2-(tert-butylamino)ethanol;N-tert-butylcyclopentanamine;N-tert-butyl-6-methylpyridin-3-amine;N-tert-butylpyridin-3-amine;N,2-dimethylpropan-2-amine;ethane;4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine;N-[3-(2-iodoethyliodanuidyl)propyl]-2-methylpropan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;4-(2-morpholin-4-ylethyl)-N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine
CID 159048850

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine?
The IUPAC name of 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine (CID 162214493) is 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine.
What is the SMILES notation for 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine?
The canonical SMILES for 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine is C=S(=O)(CCC)C(C)(C)C.CC(C)(C)C(=O)CC1CCCC1.CC(C)(C)C(=O)NCCO.CC(C)(C)C1C2CCC1C(N)C2.CC(C)(C)C1CC1.CC(C)(C)CC(O)CO.CC(C)(C)CC1CCCN1.CC(C)(C)CC1CN2CCC1CC2.CC(C)(C)CCC1CCCCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CCOC1CCNC1.CC(C)(C)CCOCC(F)(F)F.CC(C)(C)CCOCC1CCNC1.CC(C)(C)CCOc1cccnc1.CC(C)(C)CCc1ccc(F)cc1.CC(C)(C)CCn1ccnc1.CCC(C)(C)C.CCC(C)(C)C.CCN1CCCC(C(C)(C)C)C1.CN(C)CCC(C)(C)C.CNC1COC(CC(C)(C)C)C1.COCCC(C)(C)C.
What is the InChIKey of 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine?
The InChIKey is ZTHAHICYQJYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F.C12H23N.C12H24.C11H23NO.C11H17NO.C11H21N.C11H23N.C11H20O.3C10H21NO.C9H16N2.C9H19N.C8H15F3O.C8H19N.C8H18OS.C7H15NO2.C7H16O2.C7H16O.C7H14.2C6H14/c1-12(2,3)9-8-10-4-6-11(13)7-5-10;1-12(2,3)8-11-9-13-6-4-10(11)5-7-13;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)5-7-13-9-10-4-6-12-8-10;1-11(2,3)6-8-13-10-5-4-7-12-9-10;1-11(2,3)10-7-4-5-8(10)9(12)6-7;1-5-12-8-6-7-10(9-12)11(2,3)4;1-11(2,3)10(12)8-9-6-4-5-7-9;1-10(2,3)6-9-5-8(11-4)7-12-9;1-10(2,3)5-7-12-9-4-6-11-8-9;1-10(2,3)4-5-11-6-8-12-9-7-11;1-9(2,3)4-6-11-7-5-10-8-11;1-9(2,3)7-8-5-4-6-10-8;1-7(2,3)4-5-12-6-8(9,10)11;1-8(2,3)6-7-9(4)5;1-6-7-10(5,9)8(2,3)4;1-7(2,3)6(10)8-4-5-9;1-7(2,3)4-6(9)5-8;1-7(2,3)5-6-8-4;1-7(2,3)6-4-5-6;2*1-5-6(2,3)4/h4-7H,8-9H2,1-3H3;10-11H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10,12H,4-9H2,1-3H3;4-5,7,9H,6,8H2,1-3H3;7-10H,4-6,12H2,1-3H3;10H,5-9H2,1-4H3;9H,4-8H2,1-3H3;8-9,11H,5-7H2,1-4H3;9,11H,4-8H2,1-3H3;4-9H2,1-3H3;5,7-8H,4,6H2,1-3H3;8,10H,4-7H2,1-3H3;4-6H2,1-3H3;6-7H2,1-5H3;5-7H2,1-4H3;9H,4-5H2,1-3H3,(H,8,10);6,8-9H,4-5H2,1-3H3;5-6H2,1-4H3;6H,4-5H2,1-3H3;2*5H2,1-4H3.
What are the key properties of 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine?
7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine has a molecular weight of 3346.63 g/mol, XLogP of 51.32, 38 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine is sourced from PubChem (CID 162214493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).