2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine

C212H330F3N17O5S — CID 157234338

IUPAC2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine
SMILESC.C=C(C(C)C)C(C(C)C)N1CCCC1=O.C=C(C(C)C)C(Cc1ncccn1)C(C)(C)C.C=C(C(C)C)C(Cc1nccs1)C(C)(C)C.C=C(C(C)C)C(N1CCCNC1=O)C(C)(C)C.C=C(C(C)C)C(N1CCNC1=O)C(C)(C)C.C=C(C(C)C)C(NCC)c1ccccc1.C=C(C(C)C)C(c1ccccc1)N(C)C.C=C(C(C)C)C(c1ccccc1)N(CC)C(C)C.C=C(C(C)C)C(c1ccccc1)N(CC)CC.C=C(C(C)C)C(c1ccccc1)N1CCC(F)(F)CC1.C=C(C(C)C)C(c1ccccc1)N1CCC(F)C1.C=C(C(C)C)C(c1ccccc1)N1CCCC1.C=C(C(C)C)C(c1ccccc1)N1CCCC1=O.C=C(C(C)C)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H23F2N.C17H27N.C16H22FN.C16H21NO.C16H23NO.C16H23N.C16H25N.C15H24N2.C14H26N2O.C14H23NS.2C14H21N.C13H24N2O.C13H23NO.CH4/c1-13(2)14(3)16(15-7-5-4-6-8-15)20-11-9-17(18,19)10-12-20;1-7-18(14(4)5)17(15(6)13(2)3)16-11-9-8-10-12-16;1-12(2)13(3)16(14-7-5-4-6-8-14)18-10-9-15(17)11-18;1-12(2)13(3)16(14-8-5-4-6-9-14)17-11-7-10-15(17)18;1-13(2)14(3)16(15-7-5-4-6-8-15)17-9-11-18-12-10-17;1-13(2)14(3)16(17-11-7-8-12-17)15-9-5-4-6-10-15;1-6-17(7-2)16(14(5)13(3)4)15-11-9-8-10-12-15;1-11(2)12(3)13(15(4,5)6)10-14-16-8-7-9-17-14;1-10(2)11(3)12(14(4,5)6)16-9-7-8-15-13(16)17;1-10(2)11(3)12(14(4,5)6)9-13-15-7-8-16-13;1-11(2)12(3)14(15(4)5)13-9-7-6-8-10-13;1-5-15-14(12(4)11(2)3)13-9-7-6-8-10-13;1-9(2)10(3)11(13(4,5)6)15-8-7-14-12(15)16;1-9(2)11(5)13(10(3)4)14-8-6-7-12(14)15;/h4-8,13,16H,3,9-12H2,1-2H3;8-14,17H,6-7H2,1-5H3;4-8,12,15-16H,3,9-11H2,1-2H3;4-6,8-9,12,16H,3,7,10-11H2,1-2H3;4-8,13,16H,3,9-12H2,1-2H3;4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3;8-13,16H,5-7H2,1-4H3;7-9,11,13H,3,10H2,1-2,4-6H3;10,12H,3,7-9H2,1-2,4-6H3,(H,15,17);7-8,10,12H,3,9H2,1-2,4-6H3;6-11,14H,3H2,1-2,4-5H3;6-11,14-15H,4-5H2,1-3H3;9,11H,3,7-8H2,1-2,4-6H3,(H,14,16);9-10,13H,5-8H2,1-4H3;1H4
InChIKeyAULPKRIZKWBUEC-UHFFFAOYSA-N
MW3286.15 g/mol
LogP53.13
Rot. Bonds59

About 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine

2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine (PubChem CID 157234338) has the molecular formula C212H330F3N17O5S and a molecular weight of 3286.15 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine
PubChem CID157234338
Molecular FormulaC212H330F3N17O5S
Molecular Weight3286.15 g/mol
Exact Mass3283.58
IUPAC Name2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine
SMILESC.C=C(C(C)C)C(C(C)C)N1CCCC1=O.C=C(C(C)C)C(Cc1ncccn1)C(C)(C)C.C=C(C(C)C)C(Cc1nccs1)C(C)(C)C.C=C(C(C)C)C(N1CCCNC1=O)C(C)(C)C.C=C(C(C)C)C(N1CCNC1=O)C(C)(C)C.C=C(C(C)C)C(NCC)c1ccccc1.C=C(C(C)C)C(c1ccccc1)N(C)C.C=C(C(C)C)C(c1ccccc1)N(CC)C(C)C.C=C(C(C)C)C(c1ccccc1)N(CC)CC.C=C(C(C)C)C(c1ccccc1)N1CCC(F)(F)CC1.C=C(C(C)C)C(c1ccccc1)N1CCC(F)C1.C=C(C(C)C)C(c1ccccc1)N1CCCC1.C=C(C(C)C)C(c1ccccc1)N1CCCC1=O.C=C(C(C)C)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H23F2N.C17H27N.C16H22FN.C16H21NO.C16H23NO.C16H23N.C16H25N.C15H24N2.C14H26N2O.C14H23NS.2C14H21N.C13H24N2O.C13H23NO.CH4/c1-13(2)14(3)16(15-7-5-4-6-8-15)20-11-9-17(18,19)10-12-20;1-7-18(14(4)5)17(15(6)13(2)3)16-11-9-8-10-12-16;1-12(2)13(3)16(14-7-5-4-6-8-14)18-10-9-15(17)11-18;1-12(2)13(3)16(14-8-5-4-6-9-14)17-11-7-10-15(17)18;1-13(2)14(3)16(15-7-5-4-6-8-15)17-9-11-18-12-10-17;1-13(2)14(3)16(17-11-7-8-12-17)15-9-5-4-6-10-15;1-6-17(7-2)16(14(5)13(3)4)15-11-9-8-10-12-15;1-11(2)12(3)13(15(4,5)6)10-14-16-8-7-9-17-14;1-10(2)11(3)12(14(4,5)6)16-9-7-8-15-13(16)17;1-10(2)11(3)12(14(4,5)6)9-13-15-7-8-16-13;1-11(2)12(3)14(15(4)5)13-9-7-6-8-10-13;1-5-15-14(12(4)11(2)3)13-9-7-6-8-10-13;1-9(2)10(3)11(13(4,5)6)15-8-7-14-12(15)16;1-9(2)11(5)13(10(3)4)14-8-6-7-12(14)15;/h4-8,13,16H,3,9-12H2,1-2H3;8-14,17H,6-7H2,1-5H3;4-8,12,15-16H,3,9-11H2,1-2H3;4-6,8-9,12,16H,3,7,10-11H2,1-2H3;4-8,13,16H,3,9-12H2,1-2H3;4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3;8-13,16H,5-7H2,1-4H3;7-9,11,13H,3,10H2,1-2,4-6H3;10,12H,3,7-9H2,1-2,4-6H3,(H,15,17);7-8,10,12H,3,9H2,1-2,4-6H3;6-11,14H,3H2,1-2,4-5H3;6-11,14-15H,4-5H2,1-3H3;9,11H,3,7-8H2,1-2,4-6H3,(H,14,16);9-10,13H,5-8H2,1-4H3;1H4
InChIKeyAULPKRIZKWBUEC-UHFFFAOYSA-N
XLogP53.13
TPSA187.91 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds59
Heavy Atoms238
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003286.15
LogP ≤ 553.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine?
The IUPAC name of 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine (CID 157234338) is 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine?
The canonical SMILES for 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine is C.C=C(C(C)C)C(C(C)C)N1CCCC1=O.C=C(C(C)C)C(Cc1ncccn1)C(C)(C)C.C=C(C(C)C)C(Cc1nccs1)C(C)(C)C.C=C(C(C)C)C(N1CCCNC1=O)C(C)(C)C.C=C(C(C)C)C(N1CCNC1=O)C(C)(C)C.C=C(C(C)C)C(NCC)c1ccccc1.C=C(C(C)C)C(c1ccccc1)N(C)C.C=C(C(C)C)C(c1ccccc1)N(CC)C(C)C.C=C(C(C)C)C(c1ccccc1)N(CC)CC.C=C(C(C)C)C(c1ccccc1)N1CCC(F)(F)CC1.C=C(C(C)C)C(c1ccccc1)N1CCC(F)C1.C=C(C(C)C)C(c1ccccc1)N1CCCC1.C=C(C(C)C)C(c1ccccc1)N1CCCC1=O.C=C(C(C)C)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine?
The InChIKey is AULPKRIZKWBUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N.C17H27N.C16H22FN.C16H21NO.C16H23NO.C16H23N.C16H25N.C15H24N2.C14H26N2O.C14H23NS.2C14H21N.C13H24N2O.C13H23NO.CH4/c1-13(2)14(3)16(15-7-5-4-6-8-15)20-11-9-17(18,19)10-12-20;1-7-18(14(4)5)17(15(6)13(2)3)16-11-9-8-10-12-16;1-12(2)13(3)16(14-7-5-4-6-8-14)18-10-9-15(17)11-18;1-12(2)13(3)16(14-8-5-4-6-9-14)17-11-7-10-15(17)18;1-13(2)14(3)16(15-7-5-4-6-8-15)17-9-11-18-12-10-17;1-13(2)14(3)16(17-11-7-8-12-17)15-9-5-4-6-10-15;1-6-17(7-2)16(14(5)13(3)4)15-11-9-8-10-12-15;1-11(2)12(3)13(15(4,5)6)10-14-16-8-7-9-17-14;1-10(2)11(3)12(14(4,5)6)16-9-7-8-15-13(16)17;1-10(2)11(3)12(14(4,5)6)9-13-15-7-8-16-13;1-11(2)12(3)14(15(4)5)13-9-7-6-8-10-13;1-5-15-14(12(4)11(2)3)13-9-7-6-8-10-13;1-9(2)10(3)11(13(4,5)6)15-8-7-14-12(15)16;1-9(2)11(5)13(10(3)4)14-8-6-7-12(14)15;/h4-8,13,16H,3,9-12H2,1-2H3;8-14,17H,6-7H2,1-5H3;4-8,12,15-16H,3,9-11H2,1-2H3;4-6,8-9,12,16H,3,7,10-11H2,1-2H3;4-8,13,16H,3,9-12H2,1-2H3;4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3;8-13,16H,5-7H2,1-4H3;7-9,11,13H,3,10H2,1-2,4-6H3;10,12H,3,7-9H2,1-2,4-6H3,(H,15,17);7-8,10,12H,3,9H2,1-2,4-6H3;6-11,14H,3H2,1-2,4-5H3;6-11,14-15H,4-5H2,1-3H3;9,11H,3,7-8H2,1-2,4-6H3,(H,14,16);9-10,13H,5-8H2,1-4H3;1H4.
What are the key properties of 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine?
2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine has a molecular weight of 3286.15 g/mol, XLogP of 53.13, 59 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;methane;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine is sourced from PubChem (CID 157234338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).