N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol

C190H355F8N31O6S5 — CID 157327227

IUPACN-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol
SMILESC=CC(C)C.CC(C)C(C)(C)C#N.CC(C)C(C)(C)CO.CC(C)C1(C#N)CC1.CC(C)C1(Cn2ccnn2)CC1.CC(C)C1(Cn2nccn2)CC1.CC(C)CC#N.CC(C)Cc1cncs1.CC(C)Cc1csc(N(C)C)n1.CC(C)Cc1nccs1.CC(C)Cn1ccc2cccnc21.CC(C)N1CC(F)(F)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N(C)C2CC2)CC1.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCCO1.CC(C)N1CCN(C)CC(F)(F)C1.CC(C)N1CCOCC1.CC1CN(C(C)C)CC(C)O1.CCNc1nc(CC(C)C)cs1.COCC1(C(C)C)CC1.COCCN(C)C(C)C.Cc1nc(C)c(CC(C)C)s1
InChIInChI=1S/C12H24N2.C11H14N2.C9H18F2N2.2C9H15N3.2C9H16N2S.C9H20N2.C9H19NO.C9H15NS.C8H15F2N.C8H16O.C7H13F2N.2C7H15NO.C7H17NO.2C7H11NS.C7H11N.C7H13N.C7H16O.C6H11F2N.C5H9N.C5H10/c1-10(2)14-8-6-12(7-9-14)13(3)11-4-5-11;1-9(2)8-13-7-5-10-4-3-6-12-11(10)13;1-8(2)13-5-4-12(3)6-9(10,11)7-13;1-8(2)9(3-4-9)7-12-6-5-10-11-12;1-8(2)9(3-4-9)7-12-10-5-6-11-12;1-7(2)5-8-6-12-9(10-8)11(3)4;1-4-10-9-11-8(6-12-9)5-7(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-6(2)5-9-7(3)10-8(4)11-9;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)8(4-5-8)6-9-3;1-6(2)10-4-3-7(8,9)5-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8(3)5-6-9-4;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;1-6(2)7(5-8)3-4-7;2*1-6(2)7(3,4)5-8;1-5(2)9-3-6(7,8)4-9;1-5(2)3-4-6;1-4-5(2)3/h10-12H,4-9H2,1-3H3;3-7,9H,8H2,1-2H3;8H,4-7H2,1-3H3;2*5-6,8H,3-4,7H2,1-2H3;6-7H,5H2,1-4H3;6-7H,4-5H2,1-3H3,(H,10,11);8-9H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;6H,5H2,1-4H3;7H,3-6H2,1-2H3;7H,4-6H2,1-3H3;6H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;6H,3-4H2,1-2H3;6H,1-4H3;6,8H,5H2,1-4H3;5H,3-4H2,1-2H3;5H,3H2,1-2H3;4-5H,1H2,2-3H3
InChIKeyBEWJCQOTFYIUPV-UHFFFAOYSA-N
MW3482.46 g/mol
LogP44.29
Rot. Bonds46

About N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol

N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol (PubChem CID 157327227) has the molecular formula C190H355F8N31O6S5 and a molecular weight of 3482.46 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol
PubChem CID157327227
Molecular FormulaC190H355F8N31O6S5
Molecular Weight3482.46 g/mol
Exact Mass3479.69
IUPAC NameN-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol
SMILESC=CC(C)C.CC(C)C(C)(C)C#N.CC(C)C(C)(C)CO.CC(C)C1(C#N)CC1.CC(C)C1(Cn2ccnn2)CC1.CC(C)C1(Cn2nccn2)CC1.CC(C)CC#N.CC(C)Cc1cncs1.CC(C)Cc1csc(N(C)C)n1.CC(C)Cc1nccs1.CC(C)Cn1ccc2cccnc21.CC(C)N1CC(F)(F)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N(C)C2CC2)CC1.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCCO1.CC(C)N1CCN(C)CC(F)(F)C1.CC(C)N1CCOCC1.CC1CN(C(C)C)CC(C)O1.CCNc1nc(CC(C)C)cs1.COCC1(C(C)C)CC1.COCCN(C)C(C)C.Cc1nc(C)c(CC(C)C)s1
InChIInChI=1S/C12H24N2.C11H14N2.C9H18F2N2.2C9H15N3.2C9H16N2S.C9H20N2.C9H19NO.C9H15NS.C8H15F2N.C8H16O.C7H13F2N.2C7H15NO.C7H17NO.2C7H11NS.C7H11N.C7H13N.C7H16O.C6H11F2N.C5H9N.C5H10/c1-10(2)14-8-6-12(7-9-14)13(3)11-4-5-11;1-9(2)8-13-7-5-10-4-3-6-12-11(10)13;1-8(2)13-5-4-12(3)6-9(10,11)7-13;1-8(2)9(3-4-9)7-12-6-5-10-11-12;1-8(2)9(3-4-9)7-12-10-5-6-11-12;1-7(2)5-8-6-12-9(10-8)11(3)4;1-4-10-9-11-8(6-12-9)5-7(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-6(2)5-9-7(3)10-8(4)11-9;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)8(4-5-8)6-9-3;1-6(2)10-4-3-7(8,9)5-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8(3)5-6-9-4;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;1-6(2)7(5-8)3-4-7;2*1-6(2)7(3,4)5-8;1-5(2)9-3-6(7,8)4-9;1-5(2)3-4-6;1-4-5(2)3/h10-12H,4-9H2,1-3H3;3-7,9H,8H2,1-2H3;8H,4-7H2,1-3H3;2*5-6,8H,3-4,7H2,1-2H3;6-7H,5H2,1-4H3;6-7H,4-5H2,1-3H3,(H,10,11);8-9H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;6H,5H2,1-4H3;7H,3-6H2,1-2H3;7H,4-6H2,1-3H3;6H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;6H,3-4H2,1-2H3;6H,1-4H3;6,8H,5H2,1-4H3;5H,3-4H2,1-2H3;5H,3H2,1-2H3;4-5H,1H2,2-3H3
InChIKeyBEWJCQOTFYIUPV-UHFFFAOYSA-N
XLogP44.29
TPSA338.83 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds46
Heavy Atoms240
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003482.46
LogP ≤ 544.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol?
The IUPAC name of N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol (CID 157327227) is N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol.
What is the SMILES notation for N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol?
The canonical SMILES for N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol is C=CC(C)C.CC(C)C(C)(C)C#N.CC(C)C(C)(C)CO.CC(C)C1(C#N)CC1.CC(C)C1(Cn2ccnn2)CC1.CC(C)C1(Cn2nccn2)CC1.CC(C)CC#N.CC(C)Cc1cncs1.CC(C)Cc1csc(N(C)C)n1.CC(C)Cc1nccs1.CC(C)Cn1ccc2cccnc21.CC(C)N1CC(F)(F)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N(C)C2CC2)CC1.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCCO1.CC(C)N1CCN(C)CC(F)(F)C1.CC(C)N1CCOCC1.CC1CN(C(C)C)CC(C)O1.CCNc1nc(CC(C)C)cs1.COCC1(C(C)C)CC1.COCCN(C)C(C)C.Cc1nc(C)c(CC(C)C)s1.
What is the InChIKey of N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol?
The InChIKey is BEWJCQOTFYIUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C11H14N2.C9H18F2N2.2C9H15N3.2C9H16N2S.C9H20N2.C9H19NO.C9H15NS.C8H15F2N.C8H16O.C7H13F2N.2C7H15NO.C7H17NO.2C7H11NS.C7H11N.C7H13N.C7H16O.C6H11F2N.C5H9N.C5H10/c1-10(2)14-8-6-12(7-9-14)13(3)11-4-5-11;1-9(2)8-13-7-5-10-4-3-6-12-11(10)13;1-8(2)13-5-4-12(3)6-9(10,11)7-13;1-8(2)9(3-4-9)7-12-6-5-10-11-12;1-8(2)9(3-4-9)7-12-10-5-6-11-12;1-7(2)5-8-6-12-9(10-8)11(3)4;1-4-10-9-11-8(6-12-9)5-7(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-6(2)5-9-7(3)10-8(4)11-9;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)8(4-5-8)6-9-3;1-6(2)10-4-3-7(8,9)5-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8(3)5-6-9-4;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;1-6(2)7(5-8)3-4-7;2*1-6(2)7(3,4)5-8;1-5(2)9-3-6(7,8)4-9;1-5(2)3-4-6;1-4-5(2)3/h10-12H,4-9H2,1-3H3;3-7,9H,8H2,1-2H3;8H,4-7H2,1-3H3;2*5-6,8H,3-4,7H2,1-2H3;6-7H,5H2,1-4H3;6-7H,4-5H2,1-3H3,(H,10,11);8-9H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;6H,5H2,1-4H3;7H,3-6H2,1-2H3;7H,4-6H2,1-3H3;6H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;6H,3-4H2,1-2H3;6H,1-4H3;6,8H,5H2,1-4H3;5H,3-4H2,1-2H3;5H,3H2,1-2H3;4-5H,1H2,2-3H3.
What are the key properties of N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol?
N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol has a molecular weight of 3482.46 g/mol, XLogP of 44.29, 46 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane;3,3-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-(methoxymethyl)-1-propan-2-ylcyclopropane;3-methylbutanenitrile;3-methylbut-1-ene;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylcyclopropane-1-carbonitrile;1-[(1-propan-2-ylcyclopropyl)methyl]triazole;2-[(1-propan-2-ylcyclopropyl)methyl]triazole;4-propan-2-ylmorpholine;2-propan-2-yloxazinane;2,2,3-trimethylbutanenitrile;2,2,3-trimethylbutan-1-ol is sourced from PubChem (CID 157327227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).