tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one

C230H484F4N30O15 — CID 159586683

IUPACtert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one
SMILESCC(C)(C)C1CC1.CC(C)(C)N1CC(F)(F)C1.CC(C)C(=O)N1CCCC1.CC(C)C(C)(C)O.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCNCC1.CC(C)N1C(=O)CCC1(C)C.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(O)C(C)(C)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@@H](O)C1.CC(C)N1CCC[C@H](N)C1.CC(C)N1CCC[C@H](O)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CCCC(=O)C(C)(C)C(C)C.CCNC(=O)C(C)C.CNC1CCN(C(C)C)CC1.COC1CCN(C(C)C)C1.COC1CCN(C(C)C)CC1.COCCOC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2.C10H21NO2.C10H21NO.C10H20O.2C9H20N2.C9H17NO.2C9H19NO.C9H18.C8H15F2N.3C8H18N2.4C8H17NO.C8H15NO.2C8H17N.C8H16.C7H13F2N.C7H16N2.C7H15NO.C7H14.C6H13NO.C6H14O/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-10(2,3)11-7-9(8-11)13-6-5-12-4;1-8(2)11-6-5-9(12)10(3,4)7-11;1-6-7-9(11)10(4,5)8(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-7(2)10-8(11)5-6-9(10,3)4;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-6-4-9(3,11)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)10-6-4-9(3)5-7-10;2*1-7(2)10-5-3-4-8(9)6-10;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-5-3-8(10)4-6-9;2*1-7(2)9-5-3-4-8(10)6-9;1-7(2)8(10)9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2,3)10-4-7(8,9)5-10;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2,3)6-4-5-6;1-4-7-6(8)5(2)3;1-5(2)6(3,4)7/h9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8-9,12H,5-7H2,1-4H3;8H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;2*7-8H,3-6,9H2,1-2H3;7-8H,4-6H2,1-3H3;3*7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;4-5H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3,(H,7,8);5,7H,1-4H3/t;;;;;;;;;;;;2*8-;;;2*8-;;;;;;;;;;/m............10..10........../s1
InChIKeyMJSACDSLCJIIBV-JUPJKHPYSA-N
MW3986.59 g/mol
LogP40.04
Rot. Bonds38

About tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one

tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one (PubChem CID 159586683) has the molecular formula C230H484F4N30O15 and a molecular weight of 3986.59 g/mol. Its IUPAC name is tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one.

Molecular Properties

Compound Nametert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one
PubChem CID159586683
Molecular FormulaC230H484F4N30O15
Molecular Weight3986.59 g/mol
Exact Mass3983.80
IUPAC Nametert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one
SMILESCC(C)(C)C1CC1.CC(C)(C)N1CC(F)(F)C1.CC(C)C(=O)N1CCCC1.CC(C)C(C)(C)O.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCNCC1.CC(C)N1C(=O)CCC1(C)C.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(O)C(C)(C)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@@H](O)C1.CC(C)N1CCC[C@H](N)C1.CC(C)N1CCC[C@H](O)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CCCC(=O)C(C)(C)C(C)C.CCNC(=O)C(C)C.CNC1CCN(C(C)C)CC1.COC1CCN(C(C)C)C1.COC1CCN(C(C)C)CC1.COCCOC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2.C10H21NO2.C10H21NO.C10H20O.2C9H20N2.C9H17NO.2C9H19NO.C9H18.C8H15F2N.3C8H18N2.4C8H17NO.C8H15NO.2C8H17N.C8H16.C7H13F2N.C7H16N2.C7H15NO.C7H14.C6H13NO.C6H14O/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-10(2,3)11-7-9(8-11)13-6-5-12-4;1-8(2)11-6-5-9(12)10(3,4)7-11;1-6-7-9(11)10(4,5)8(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-7(2)10-8(11)5-6-9(10,3)4;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-6-4-9(3,11)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)10-6-4-9(3)5-7-10;2*1-7(2)10-5-3-4-8(9)6-10;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-5-3-8(10)4-6-9;2*1-7(2)9-5-3-4-8(10)6-9;1-7(2)8(10)9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2,3)10-4-7(8,9)5-10;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2,3)6-4-5-6;1-4-7-6(8)5(2)3;1-5(2)6(3,4)7/h9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8-9,12H,5-7H2,1-4H3;8H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;2*7-8H,3-6,9H2,1-2H3;7-8H,4-6H2,1-3H3;3*7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;4-5H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3,(H,7,8);5,7H,1-4H3/t;;;;;;;;;;;;2*8-;;;2*8-;;;;;;;;;;/m............10..10........../s1
InChIKeyMJSACDSLCJIIBV-JUPJKHPYSA-N
XLogP40.04
TPSA413.73 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds38
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003986.59
LogP ≤ 540.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one?
The IUPAC name of tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one (CID 159586683) is tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one.
What is the SMILES notation for tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one?
The canonical SMILES for tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one is CC(C)(C)C1CC1.CC(C)(C)N1CC(F)(F)C1.CC(C)C(=O)N1CCCC1.CC(C)C(C)(C)O.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCNCC1.CC(C)N1C(=O)CCC1(C)C.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(O)C(C)(C)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@@H](O)C1.CC(C)N1CCC[C@H](N)C1.CC(C)N1CCC[C@H](O)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CCCC(=O)C(C)(C)C(C)C.CCNC(=O)C(C)C.CNC1CCN(C(C)C)CC1.COC1CCN(C(C)C)C1.COC1CCN(C(C)C)CC1.COCCOC1CN(C(C)(C)C)C1.
What is the InChIKey of tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one?
The InChIKey is MJSACDSLCJIIBV-JUPJKHPYSA-N. The full InChI is InChI=1S/C10H22N2.C10H21NO2.C10H21NO.C10H20O.2C9H20N2.C9H17NO.2C9H19NO.C9H18.C8H15F2N.3C8H18N2.4C8H17NO.C8H15NO.2C8H17N.C8H16.C7H13F2N.C7H16N2.C7H15NO.C7H14.C6H13NO.C6H14O/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-10(2,3)11-7-9(8-11)13-6-5-12-4;1-8(2)11-6-5-9(12)10(3,4)7-11;1-6-7-9(11)10(4,5)8(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-7(2)10-8(11)5-6-9(10,3)4;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-6-4-9(3,11)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)10-6-4-9(3)5-7-10;2*1-7(2)10-5-3-4-8(9)6-10;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-5-3-8(10)4-6-9;2*1-7(2)9-5-3-4-8(10)6-9;1-7(2)8(10)9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2,3)10-4-7(8,9)5-10;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2,3)6-4-5-6;1-4-7-6(8)5(2)3;1-5(2)6(3,4)7/h9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8-9,12H,5-7H2,1-4H3;8H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;2*7-8H,3-6,9H2,1-2H3;7-8H,4-6H2,1-3H3;3*7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;4-5H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3,(H,7,8);5,7H,1-4H3/t;;;;;;;;;;;;2*8-;;;2*8-;;;;;;;;;;/m............10..10........../s1.
What are the key properties of tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one?
tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one has a molecular weight of 3986.59 g/mol, XLogP of 40.04, 38 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;3,3-dimethyl-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;1,4-di(propan-2-yl)piperazine;N-ethyl-2-methylpropanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,3,3-trimethylheptan-4-one is sourced from PubChem (CID 159586683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).