N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one

C214H332F3N17O7 — CID 161079022

IUPACN,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one
SMILESC.C.C=C(C(C)C)C(C(C)C)N1CCCC1=O.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(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)N1CCCCC1.C=C(C(C)C)C(c1ccccc1)N1CCOCC1.CC(C)C(=O)C(Cc1ncccn1)C(C)(C)C.CC(C)C(=O)C(c1ccccc1)N(C)C
InChIInChI=1S/C17H23F2N.C17H25N.C17H27N.C16H22FN.C16H21NO.C16H23NO.C16H23N.C16H25N.C14H26N2O.C14H22N2O.C14H21N.C13H24N2O.C13H23NO.C13H19NO.2CH4/c1-13(2)14(3)16(15-7-5-4-6-8-15)20-11-9-17(18,19)10-12-20;1-14(2)15(3)17(16-10-6-4-7-11-16)18-12-8-5-9-13-18;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;1-10(2)11(3)12(14(4,5)6)16-9-7-8-15-13(16)17;1-10(2)13(17)11(14(3,4)5)9-12-15-7-6-8-16-12;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;1-10(2)13(15)12(14(3)4)11-8-6-5-7-9-11;;/h4-8,13,16H,3,9-12H2,1-2H3;4,6-7,10-11,14,17H,3,5,8-9,12-13H2,1-2H3;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;10,12H,3,7-9H2,1-2,4-6H3,(H,15,17);6-8,10-11H,9H2,1-5H3;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;5-10,12H,1-4H3;2*1H4
InChIKeyUFQVWFPKMFMBAW-UHFFFAOYSA-N
MW3312.12 g/mol
LogP51.66
Rot. Bonds59

About N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one

N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one (PubChem CID 161079022) has the molecular formula C214H332F3N17O7 and a molecular weight of 3312.12 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one
PubChem CID161079022
Molecular FormulaC214H332F3N17O7
Molecular Weight3312.12 g/mol
Exact Mass3309.61
IUPAC NameN,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one
SMILESC.C.C=C(C(C)C)C(C(C)C)N1CCCC1=O.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(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)N1CCCCC1.C=C(C(C)C)C(c1ccccc1)N1CCOCC1.CC(C)C(=O)C(Cc1ncccn1)C(C)(C)C.CC(C)C(=O)C(c1ccccc1)N(C)C
InChIInChI=1S/C17H23F2N.C17H25N.C17H27N.C16H22FN.C16H21NO.C16H23NO.C16H23N.C16H25N.C14H26N2O.C14H22N2O.C14H21N.C13H24N2O.C13H23NO.C13H19NO.2CH4/c1-13(2)14(3)16(15-7-5-4-6-8-15)20-11-9-17(18,19)10-12-20;1-14(2)15(3)17(16-10-6-4-7-11-16)18-12-8-5-9-13-18;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;1-10(2)11(3)12(14(4,5)6)16-9-7-8-15-13(16)17;1-10(2)13(17)11(14(3,4)5)9-12-15-7-6-8-16-12;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;1-10(2)13(15)12(14(3)4)11-8-6-5-7-9-11;;/h4-8,13,16H,3,9-12H2,1-2H3;4,6-7,10-11,14,17H,3,5,8-9,12-13H2,1-2H3;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;10,12H,3,7-9H2,1-2,4-6H3,(H,15,17);6-8,10-11H,9H2,1-5H3;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;5-10,12H,1-4H3;2*1H4
InChIKeyUFQVWFPKMFMBAW-UHFFFAOYSA-N
XLogP51.66
TPSA212.40 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds59
Heavy Atoms241
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003312.12
LogP ≤ 551.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one?
The IUPAC name of N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one (CID 161079022) is N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one.
What is the SMILES notation for N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one?
The canonical SMILES for N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one is C.C.C=C(C(C)C)C(C(C)C)N1CCCC1=O.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(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)N1CCCCC1.C=C(C(C)C)C(c1ccccc1)N1CCOCC1.CC(C)C(=O)C(Cc1ncccn1)C(C)(C)C.CC(C)C(=O)C(c1ccccc1)N(C)C.
What is the InChIKey of N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one?
The InChIKey is UFQVWFPKMFMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N.C17H25N.C17H27N.C16H22FN.C16H21NO.C16H23NO.C16H23N.C16H25N.C14H26N2O.C14H22N2O.C14H21N.C13H24N2O.C13H23NO.C13H19NO.2CH4/c1-13(2)14(3)16(15-7-5-4-6-8-15)20-11-9-17(18,19)10-12-20;1-14(2)15(3)17(16-10-6-4-7-11-16)18-12-8-5-9-13-18;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;1-10(2)11(3)12(14(4,5)6)16-9-7-8-15-13(16)17;1-10(2)13(17)11(14(3,4)5)9-12-15-7-6-8-16-12;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;1-10(2)13(15)12(14(3)4)11-8-6-5-7-9-11;;/h4-8,13,16H,3,9-12H2,1-2H3;4,6-7,10-11,14,17H,3,5,8-9,12-13H2,1-2H3;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;10,12H,3,7-9H2,1-2,4-6H3,(H,15,17);6-8,10-11H,9H2,1-5H3;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;5-10,12H,1-4H3;2*1H4.
What are the key properties of N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one?
N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one has a molecular weight of 3312.12 g/mol, XLogP of 51.66, 59 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(dimethylamino)-3-methyl-1-phenylbutan-2-one;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)piperidine;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;2,5,5-trimethyl-4-(pyrimidin-2-ylmethyl)hexan-3-one is sourced from PubChem (CID 161079022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).