N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine

C312H518N20O5 — CID 157142323

IUPACN-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine
SMILESCC(C)(C)Cc1ccc(CC2CCN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(CC2CN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(CN2CC(CN3CCN(C(C)(C)C)CC3)C2)cc1.CC(C)(C)Cc1ccc(COCC2CCN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(COCC2CCN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(COCC2CN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(COCC2CN(CC(C)(C)C)C2)cc1.CC(C)(C)c1ccc(C2CCCN(C(C)(C)C)C2)cc1.CC(C)(C)c1ccc(CC2CCCN(C(C)(C)C)C2)cc1.CC(C)(C)c1ccc(CC2CCCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(CC2CCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)cc1.CC(C)(C)c1ccc(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)cc1.CC1CN(C(C)(C)C)CC(C)N1c1ccc(C(C)(C)C)cc1.CN(C1CC(Oc2ccc(C(C)(C)C)cc2)C1)C(C)(C)C
InChIInChI=1S/C24H41N3.C23H38N2.2C22H37NO.2C21H35NO.2C21H35N.C20H34N2.3C20H33N.C19H30N2.C19H31NO.C19H31N/c1-23(2,3)15-20-7-9-21(10-8-20)16-26-18-22(19-26)17-25-11-13-27(14-12-25)24(4,5)6;1-22(2,3)18-7-9-20(10-8-18)24-15-12-21(13-16-24)25-14-11-19(17-25)23(4,5)6;2*1-21(2,3)13-18-7-9-19(10-8-18)15-24-16-20-11-12-23(14-20)17-22(4,5)6;2*1-20(2,3)11-17-7-9-18(10-8-17)14-23-15-19-12-22(13-19)16-21(4,5)6;1-20(2,3)14-18-9-7-17(8-10-18)13-19-11-12-22(15-19)16-21(4,5)6;1-20(2,3)19-11-9-18(10-12-19)16-17-8-7-14-22(15-13-17)21(4,5)6;1-15-13-21(20(6,7)8)14-16(2)22(15)18-11-9-17(10-12-18)19(3,4)5;1-19(2,3)12-17-9-7-16(8-10-17)11-18-13-21(14-18)15-20(4,5)6;1-19(2,3)18-9-7-16(8-10-18)15-17-11-13-21(14-12-17)20(4,5)6;1-19(2,3)18-11-9-16(10-12-18)14-17-8-7-13-21(15-17)20(4,5)6;1-18(2,3)14-7-9-15(10-8-14)20-12-17-11-16(20)13-21(17)19(4,5)6;1-18(2,3)14-8-10-16(11-9-14)21-17-12-15(13-17)20(7)19(4,5)6;1-18(2,3)17-11-9-15(10-12-17)16-8-7-13-20(14-16)19(4,5)6/h7-10,22H,11-19H2,1-6H3;7-10,19,21H,11-17H2,1-6H3;2*7-10,20H,11-17H2,1-6H3;2*7-10,19H,11-16H2,1-6H3;7-10,19H,11-16H2,1-6H3;9-12,17H,7-8,13-16H2,1-6H3;9-12,15-16H,13-14H2,1-8H3;7-10,18H,11-15H2,1-6H3;7-10,17H,11-15H2,1-6H3;9-12,17H,7-8,13-15H2,1-6H3;7-10,16-17H,11-13H2,1-6H3;8-11,15,17H,12-13H2,1-7H3;9-12,16H,7-8,13-14H2,1-6H3/t;;;;;;;;;;;;16-,17-;;/m............1../s1
InChIKeyAKIDKAPEFKZUQO-BFQYHGJRSA-N
MW4629.71 g/mol
LogP73.10
Rot. Bonds51

About N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine

N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine (PubChem CID 157142323) has the molecular formula C312H518N20O5 and a molecular weight of 4629.71 g/mol. Its IUPAC name is N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound NameN-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine
PubChem CID157142323
Molecular FormulaC312H518N20O5
Molecular Weight4629.71 g/mol
Exact Mass4626.09
IUPAC NameN-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine
SMILESCC(C)(C)Cc1ccc(CC2CCN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(CC2CN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(CN2CC(CN3CCN(C(C)(C)C)CC3)C2)cc1.CC(C)(C)Cc1ccc(COCC2CCN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(COCC2CCN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(COCC2CN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(COCC2CN(CC(C)(C)C)C2)cc1.CC(C)(C)c1ccc(C2CCCN(C(C)(C)C)C2)cc1.CC(C)(C)c1ccc(CC2CCCN(C(C)(C)C)C2)cc1.CC(C)(C)c1ccc(CC2CCCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(CC2CCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)cc1.CC(C)(C)c1ccc(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)cc1.CC1CN(C(C)(C)C)CC(C)N1c1ccc(C(C)(C)C)cc1.CN(C1CC(Oc2ccc(C(C)(C)C)cc2)C1)C(C)(C)C
InChIInChI=1S/C24H41N3.C23H38N2.2C22H37NO.2C21H35NO.2C21H35N.C20H34N2.3C20H33N.C19H30N2.C19H31NO.C19H31N/c1-23(2,3)15-20-7-9-21(10-8-20)16-26-18-22(19-26)17-25-11-13-27(14-12-25)24(4,5)6;1-22(2,3)18-7-9-20(10-8-18)24-15-12-21(13-16-24)25-14-11-19(17-25)23(4,5)6;2*1-21(2,3)13-18-7-9-19(10-8-18)15-24-16-20-11-12-23(14-20)17-22(4,5)6;2*1-20(2,3)11-17-7-9-18(10-8-17)14-23-15-19-12-22(13-19)16-21(4,5)6;1-20(2,3)14-18-9-7-17(8-10-18)13-19-11-12-22(15-19)16-21(4,5)6;1-20(2,3)19-11-9-18(10-12-19)16-17-8-7-14-22(15-13-17)21(4,5)6;1-15-13-21(20(6,7)8)14-16(2)22(15)18-11-9-17(10-12-18)19(3,4)5;1-19(2,3)12-17-9-7-16(8-10-17)11-18-13-21(14-18)15-20(4,5)6;1-19(2,3)18-9-7-16(8-10-18)15-17-11-13-21(14-12-17)20(4,5)6;1-19(2,3)18-11-9-16(10-12-18)14-17-8-7-13-21(15-17)20(4,5)6;1-18(2,3)14-7-9-15(10-8-14)20-12-17-11-16(20)13-21(17)19(4,5)6;1-18(2,3)14-8-10-16(11-9-14)21-17-12-15(13-17)20(7)19(4,5)6;1-18(2,3)17-11-9-15(10-12-17)16-8-7-13-20(14-16)19(4,5)6/h7-10,22H,11-19H2,1-6H3;7-10,19,21H,11-17H2,1-6H3;2*7-10,20H,11-17H2,1-6H3;2*7-10,19H,11-16H2,1-6H3;7-10,19H,11-16H2,1-6H3;9-12,17H,7-8,13-16H2,1-6H3;9-12,15-16H,13-14H2,1-8H3;7-10,18H,11-15H2,1-6H3;7-10,17H,11-15H2,1-6H3;9-12,17H,7-8,13-15H2,1-6H3;7-10,16-17H,11-13H2,1-6H3;8-11,15,17H,12-13H2,1-7H3;9-12,16H,7-8,13-14H2,1-6H3/t;;;;;;;;;;;;16-,17-;;/m............1../s1
InChIKeyAKIDKAPEFKZUQO-BFQYHGJRSA-N
XLogP73.10
TPSA110.95 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds51
Heavy Atoms337
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004629.71
LogP ≤ 573.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine?
The IUPAC name of N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine (CID 157142323) is N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine is CC(C)(C)Cc1ccc(CC2CCN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(CC2CN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(CN2CC(CN3CCN(C(C)(C)C)CC3)C2)cc1.CC(C)(C)Cc1ccc(COCC2CCN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(COCC2CCN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(COCC2CN(CC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(COCC2CN(CC(C)(C)C)C2)cc1.CC(C)(C)c1ccc(C2CCCN(C(C)(C)C)C2)cc1.CC(C)(C)c1ccc(CC2CCCN(C(C)(C)C)C2)cc1.CC(C)(C)c1ccc(CC2CCCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(CC2CCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)cc1.CC(C)(C)c1ccc(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)cc1.CC1CN(C(C)(C)C)CC(C)N1c1ccc(C(C)(C)C)cc1.CN(C1CC(Oc2ccc(C(C)(C)C)cc2)C1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine?
The InChIKey is AKIDKAPEFKZUQO-BFQYHGJRSA-N. The full InChI is InChI=1S/C24H41N3.C23H38N2.2C22H37NO.2C21H35NO.2C21H35N.C20H34N2.3C20H33N.C19H30N2.C19H31NO.C19H31N/c1-23(2,3)15-20-7-9-21(10-8-20)16-26-18-22(19-26)17-25-11-13-27(14-12-25)24(4,5)6;1-22(2,3)18-7-9-20(10-8-18)24-15-12-21(13-16-24)25-14-11-19(17-25)23(4,5)6;2*1-21(2,3)13-18-7-9-19(10-8-18)15-24-16-20-11-12-23(14-20)17-22(4,5)6;2*1-20(2,3)11-17-7-9-18(10-8-17)14-23-15-19-12-22(13-19)16-21(4,5)6;1-20(2,3)14-18-9-7-17(8-10-18)13-19-11-12-22(15-19)16-21(4,5)6;1-20(2,3)19-11-9-18(10-12-19)16-17-8-7-14-22(15-13-17)21(4,5)6;1-15-13-21(20(6,7)8)14-16(2)22(15)18-11-9-17(10-12-18)19(3,4)5;1-19(2,3)12-17-9-7-16(8-10-17)11-18-13-21(14-18)15-20(4,5)6;1-19(2,3)18-9-7-16(8-10-18)15-17-11-13-21(14-12-17)20(4,5)6;1-19(2,3)18-11-9-16(10-12-18)14-17-8-7-13-21(15-17)20(4,5)6;1-18(2,3)14-7-9-15(10-8-14)20-12-17-11-16(20)13-21(17)19(4,5)6;1-18(2,3)14-8-10-16(11-9-14)21-17-12-15(13-17)20(7)19(4,5)6;1-18(2,3)17-11-9-15(10-12-17)16-8-7-13-20(14-16)19(4,5)6/h7-10,22H,11-19H2,1-6H3;7-10,19,21H,11-17H2,1-6H3;2*7-10,20H,11-17H2,1-6H3;2*7-10,19H,11-16H2,1-6H3;7-10,19H,11-16H2,1-6H3;9-12,17H,7-8,13-16H2,1-6H3;9-12,15-16H,13-14H2,1-8H3;7-10,18H,11-15H2,1-6H3;7-10,17H,11-15H2,1-6H3;9-12,17H,7-8,13-15H2,1-6H3;7-10,16-17H,11-13H2,1-6H3;8-11,15,17H,12-13H2,1-7H3;9-12,16H,7-8,13-14H2,1-6H3/t;;;;;;;;;;;;16-,17-;;/m............1../s1.
What are the key properties of N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine?
N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine has a molecular weight of 4629.71 g/mol, XLogP of 73.10, 51 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-tert-butylphenoxy)-N-methylcyclobutan-1-amine;(1R,4R)-2-tert-butyl-5-(4-tert-butylphenyl)-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-(4-tert-butylphenyl)-2,6-dimethylpiperazine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]azepane;1-tert-butyl-3-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]piperidine;1-tert-butyl-3-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidin-3-yl]methyl]piperazine;1-(4-tert-butylphenyl)-4-(3-tert-butylpyrrolidin-1-yl)piperidine;bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine);bis(1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]pyrrolidine);1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]azetidine;1-(2,2-dimethylpropyl)-3-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 157142323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).