bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane

C197H311N9O15 — CID 158167030

IUPACbis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane
SMILESCC.CC.CC(C)(C)CC1CC(Oc2ccc3cc(C(C)(C)C)oc3c2)C1.CC(C)(C)CC1CC(Oc2ccc3cc(C(C)(C)C)oc3c2)C1.CC(C)(C)COc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)Cc1ccc(N2CC[C@@H](NC(C)(C)C)C2)cc1.CC(C)(C)Cc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CC(Oc2ccc3oc(C(C)(C)C)cc3c2)C1.CC(C)(C)NC1CC(Oc2ccc3oc(C(C)(C)C)cc3c2)C1.CC(CCC(C)(C)C)Oc1ccc2cc(C(C)(C)C)oc2c1.C[C@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/2C21H30O2.2C20H29NO2.C20H30O2.C19H32N2.C19H31NO2.C19H31NO.C17H28N2O.C17H29NO.2C2H6/c2*1-20(2,3)13-14-9-17(10-14)22-16-8-7-15-11-19(21(4,5)6)23-18(15)12-16;2*1-19(2,3)18-10-13-9-15(7-8-17(13)23-18)22-16-11-14(12-16)21-20(4,5)6;1-14(10-11-19(2,3)4)21-16-9-8-15-12-18(20(5,6)7)22-17(15)13-16;1-18(2,3)13-15-7-9-17(10-8-15)21-12-11-16(14-21)20-19(4,5)6;1-18(2,3)13-21-15-8-7-9-16(12-15)22-17-10-14(11-17)20-19(4,5)6;1-18(2,3)13-14-8-7-9-16(10-14)21-17-11-15(12-17)20-19(4,5)6;1-16(2,3)12-7-8-18-15(9-12)20-14-10-13(11-14)19-17(4,5)6;1-13(12-18-17(5,6)7)19-15-10-8-9-14(11-15)16(2,3)4;2*1-2/h2*7-8,11-12,14,17H,9-10,13H2,1-6H3;2*7-10,14,16,21H,11-12H2,1-6H3;8-9,12-14H,10-11H2,1-7H3;7-10,16,20H,11-14H2,1-6H3;7-9,12,14,17,20H,10-11,13H2,1-6H3;7-10,15,17,20H,11-13H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3;8-11,13,18H,12H2,1-7H3;2*1-2H3/t;;;;;16-;;;;13-;;/m.....1...1../s1
InChIKeyFWYVXPKENUNGFN-PBMYNKQKSA-N
MW3045.70 g/mol
LogP52.12
Rot. Bonds35

About bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane

bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane (PubChem CID 158167030) has the molecular formula C197H311N9O15 and a molecular weight of 3045.70 g/mol. Its IUPAC name is bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane.

Molecular Properties

Compound Namebis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane
PubChem CID158167030
Molecular FormulaC197H311N9O15
Molecular Weight3045.70 g/mol
Exact Mass3043.38
IUPAC Namebis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane
SMILESCC.CC.CC(C)(C)CC1CC(Oc2ccc3cc(C(C)(C)C)oc3c2)C1.CC(C)(C)CC1CC(Oc2ccc3cc(C(C)(C)C)oc3c2)C1.CC(C)(C)COc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)Cc1ccc(N2CC[C@@H](NC(C)(C)C)C2)cc1.CC(C)(C)Cc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CC(Oc2ccc3oc(C(C)(C)C)cc3c2)C1.CC(C)(C)NC1CC(Oc2ccc3oc(C(C)(C)C)cc3c2)C1.CC(CCC(C)(C)C)Oc1ccc2cc(C(C)(C)C)oc2c1.C[C@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/2C21H30O2.2C20H29NO2.C20H30O2.C19H32N2.C19H31NO2.C19H31NO.C17H28N2O.C17H29NO.2C2H6/c2*1-20(2,3)13-14-9-17(10-14)22-16-8-7-15-11-19(21(4,5)6)23-18(15)12-16;2*1-19(2,3)18-10-13-9-15(7-8-17(13)23-18)22-16-11-14(12-16)21-20(4,5)6;1-14(10-11-19(2,3)4)21-16-9-8-15-12-18(20(5,6)7)22-17(15)13-16;1-18(2,3)13-15-7-9-17(10-8-15)21-12-11-16(14-21)20-19(4,5)6;1-18(2,3)13-21-15-8-7-9-16(12-15)22-17-10-14(11-17)20-19(4,5)6;1-18(2,3)13-14-8-7-9-16(10-14)21-17-11-15(12-17)20-19(4,5)6;1-16(2,3)12-7-8-18-15(9-12)20-14-10-13(11-14)19-17(4,5)6;1-13(12-18-17(5,6)7)19-15-10-8-9-14(11-15)16(2,3)4;2*1-2/h2*7-8,11-12,14,17H,9-10,13H2,1-6H3;2*7-10,14,16,21H,11-12H2,1-6H3;8-9,12-14H,10-11H2,1-7H3;7-10,16,20H,11-14H2,1-6H3;7-9,12,14,17,20H,10-11,13H2,1-6H3;7-10,15,17,20H,11-13H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3;8-11,13,18H,12H2,1-7H3;2*1-2H3/t;;;;;16-;;;;13-;;/m.....1...1../s1
InChIKeyFWYVXPKENUNGFN-PBMYNKQKSA-N
XLogP52.12
TPSA258.34 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003045.70
LogP ≤ 552.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;bis(N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine);N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);bis(N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane
CID 157056973
1-[4-[3-(tert-butylamino)cyclobutyl]oxypiperidin-1-yl]-3-methylbutan-2-one;N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 157201114
CID 157329896
CID 157329896
CID 157343295
CID 157343295
bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;bis(N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine);N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);bis(N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane
CID 157347544
CID 157477211
CID 157477211
CID 157547489
CID 157547489
N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine)
CID 157573902
CID 157677847
CID 157677847
bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane
CID 158019111
N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine
CID 158038861
CID 158085247
CID 158085247

Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane?
The IUPAC name of bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane (CID 158167030) is bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane.
What is the SMILES notation for bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane?
The canonical SMILES for bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane is CC.CC.CC(C)(C)CC1CC(Oc2ccc3cc(C(C)(C)C)oc3c2)C1.CC(C)(C)CC1CC(Oc2ccc3cc(C(C)(C)C)oc3c2)C1.CC(C)(C)COc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)Cc1ccc(N2CC[C@@H](NC(C)(C)C)C2)cc1.CC(C)(C)Cc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CC(Oc2ccc3oc(C(C)(C)C)cc3c2)C1.CC(C)(C)NC1CC(Oc2ccc3oc(C(C)(C)C)cc3c2)C1.CC(CCC(C)(C)C)Oc1ccc2cc(C(C)(C)C)oc2c1.C[C@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane?
The InChIKey is FWYVXPKENUNGFN-PBMYNKQKSA-N. The full InChI is InChI=1S/2C21H30O2.2C20H29NO2.C20H30O2.C19H32N2.C19H31NO2.C19H31NO.C17H28N2O.C17H29NO.2C2H6/c2*1-20(2,3)13-14-9-17(10-14)22-16-8-7-15-11-19(21(4,5)6)23-18(15)12-16;2*1-19(2,3)18-10-13-9-15(7-8-17(13)23-18)22-16-11-14(12-16)21-20(4,5)6;1-14(10-11-19(2,3)4)21-16-9-8-15-12-18(20(5,6)7)22-17(15)13-16;1-18(2,3)13-15-7-9-17(10-8-15)21-12-11-16(14-21)20-19(4,5)6;1-18(2,3)13-21-15-8-7-9-16(12-15)22-17-10-14(11-17)20-19(4,5)6;1-18(2,3)13-14-8-7-9-16(10-14)21-17-11-15(12-17)20-19(4,5)6;1-16(2,3)12-7-8-18-15(9-12)20-14-10-13(11-14)19-17(4,5)6;1-13(12-18-17(5,6)7)19-15-10-8-9-14(11-15)16(2,3)4;2*1-2/h2*7-8,11-12,14,17H,9-10,13H2,1-6H3;2*7-10,14,16,21H,11-12H2,1-6H3;8-9,12-14H,10-11H2,1-7H3;7-10,16,20H,11-14H2,1-6H3;7-9,12,14,17,20H,10-11,13H2,1-6H3;7-10,15,17,20H,11-13H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3;8-11,13,18H,12H2,1-7H3;2*1-2H3/t;;;;;16-;;;;13-;;/m.....1...1../s1.
What are the key properties of bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane?
bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane has a molecular weight of 3045.70 g/mol, XLogP of 52.12, 35 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane is sourced from PubChem (CID 158167030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).