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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]pyrrolidine

C329H546N24O5 — CID 160575928

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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]pyrrolidine
SMILESCC(C)(C)Cc1ccc(CC2CCN(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(CN2CCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCN(C3CCN(C(C)(C)C)C3)CC2)cc1.CC(C)(C)c1ccc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)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.C22H37N3.2C22H37NO.2C21H35NO.2C21H35N.C20H34N2.2C20H33N.2C19H30N2.C19H32N2.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;1-21(2,3)18-7-9-19(10-8-18)23-13-15-24(16-14-23)20-11-12-25(17-20)22(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)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;2*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)17-9-7-16(8-10-17)15-20-11-13-21(14-12-20)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;7-10,20H,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;7-10,17H,11-15H2,1-6H3;9-12,17H,7-8,13-15H2,1-6H3;2*7-10,16-17H,11-13H2,1-6H3;7-10H,11-15H2,1-6H3;8-11,15,17H,12-13H2,1-7H3;9-12,16H,7-8,13-14H2,1-6H3/t;;;;;;;;;;;2*16-,17-;;;/m...........10.../s1
InChIKeyRBDNSEAGOVTBCP-YGWFLXTQSA-N
MW4918.15 g/mol
LogP74.91
Rot. Bonds50

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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]pyrrolidine (PubChem CID 160575928) has the molecular formula C329H546N24O5 and a molecular weight of 4918.15 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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]pyrrolidine
PubChem CID160575928
Molecular FormulaC329H546N24O5
Molecular Weight4918.15 g/mol
Exact Mass4914.32
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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]pyrrolidine
SMILESCC(C)(C)Cc1ccc(CC2CCN(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(CN2CCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCN(C3CCN(C(C)(C)C)C3)CC2)cc1.CC(C)(C)c1ccc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)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.C22H37N3.2C22H37NO.2C21H35NO.2C21H35N.C20H34N2.2C20H33N.2C19H30N2.C19H32N2.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;1-21(2,3)18-7-9-19(10-8-18)23-13-15-24(16-14-23)20-11-12-25(17-20)22(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)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;2*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)17-9-7-16(8-10-17)15-20-11-13-21(14-12-20)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;7-10,20H,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;7-10,17H,11-15H2,1-6H3;9-12,17H,7-8,13-15H2,1-6H3;2*7-10,16-17H,11-13H2,1-6H3;7-10H,11-15H2,1-6H3;8-11,15,17H,12-13H2,1-7H3;9-12,16H,7-8,13-14H2,1-6H3/t;;;;;;;;;;;2*16-,17-;;;/m...........10.../s1
InChIKeyRBDNSEAGOVTBCP-YGWFLXTQSA-N
XLogP74.91
TPSA123.91 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds50
Heavy Atoms358
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004918.15
LogP ≤ 574.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]pyrrolidine (CID 160575928) 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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]pyrrolidine is CC(C)(C)Cc1ccc(CC2CCN(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(CN2CCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCN(C3CCN(C(C)(C)C)C3)CC2)cc1.CC(C)(C)c1ccc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]pyrrolidine?
The InChIKey is RBDNSEAGOVTBCP-YGWFLXTQSA-N. The full InChI is InChI=1S/C24H41N3.C22H37N3.2C22H37NO.2C21H35NO.2C21H35N.C20H34N2.2C20H33N.2C19H30N2.C19H32N2.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;1-21(2,3)18-7-9-19(10-8-18)23-13-15-24(16-14-23)20-11-12-25(17-20)22(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)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;2*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)17-9-7-16(8-10-17)15-20-11-13-21(14-12-20)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;7-10,20H,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;7-10,17H,11-15H2,1-6H3;9-12,17H,7-8,13-15H2,1-6H3;2*7-10,16-17H,11-13H2,1-6H3;7-10H,11-15H2,1-6H3;8-11,15,17H,12-13H2,1-7H3;9-12,16H,7-8,13-14H2,1-6H3/t;;;;;;;;;;;2*16-,17-;;;/m...........10.../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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]pyrrolidine has a molecular weight of 4918.15 g/mol, XLogP of 74.91, 50 rotatable bonds, 0 hydrogen bond donors, and 29 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;(1S,4S)-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-4-[(4-tert-butylphenyl)methyl]piperazine;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-(1-tert-butylpyrrolidin-3-yl)piperazine;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]pyrrolidine is sourced from PubChem (CID 160575928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).