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

C₁₇₂H₂₉₁N₁₇O₇ — CID 158038861

About 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

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 (PubChem CID 158038861) has the molecular formula C₁₇₂H₂₉₁N₁₇O₇ and a molecular weight of 2709.33 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158038861
• Molecular Formula: C₁₇₂H₂₉₁N₁₇O₇
• Molecular Weight: 2709.33 g/mol
• Exact Mass: 2707.29
• IUPAC Name: 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
• SMILES: CC(C)(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.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)Cc1ccc(N2CC[C@H](NC(C)(C)C)C2)cc1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1.CC(CCC(C)(C)C)Oc1ccc2cc(C(C)(C)C)oc2c1.C[C@@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1
• InChI: InChI=1S/2C21H33N3.C20H30O2.2C19H32N2.C19H31NO2.2C18H36N2O.C17H28N2O/c2*1-16(13-23-21(5,6)7)24-14-19(22-15-24)18-10-8-17(9-11-18)12-20(2,3)4;1-14(10-11-19(2,3)4)21-16-9-8-15-12-18(20(5,6)7)22-17(15)13-16;2*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;2*1-17(2,3)13-20-9-7-15(8-10-20)21-16-11-14(12-16)19-18(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/h2*8-11,14-16,23H,12-13H2,1-7H3;8-9,12-14H,10-11H2,1-7H3;2*7-10,16,20H,11-14H2,1-6H3;7-9,12,14,17,20H,10-11,13H2,1-6H3;2*14-16,19H,7-13H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3/t2*16-;;2*16-;;;;/m10.10..../s1
• InChIKey: FICHHCPVQBBSSX-KLYOSOBVSA-N
• XLogP: 39.94
• TPSA: 226.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2709.33
LogP ≤ 5	39.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.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)Cc1ccc(N2CC[C@H](NC(C)(C)C)C2)cc1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1.CC(CCC(C)(C)C)Oc1ccc2cc(C(C)(C)C)oc2c1.C[C@@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.

What is the InChIKey of 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?

The InChIKey is FICHHCPVQBBSSX-KLYOSOBVSA-N. The full InChI is InChI=1S/2C21H33N3.C20H30O2.2C19H32N2.C19H31NO2.2C18H36N2O.C17H28N2O/c2*1-16(13-23-21(5,6)7)24-14-19(22-15-24)18-10-8-17(9-11-18)12-20(2,3)4;1-14(10-11-19(2,3)4)21-16-9-8-15-12-18(20(5,6)7)22-17(15)13-16;2*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;2*1-17(2,3)13-20-9-7-15(8-10-20)21-16-11-14(12-16)19-18(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/h2*8-11,14-16,23H,12-13H2,1-7H3;8-9,12-14H,10-11H2,1-7H3;2*7-10,16,20H,11-14H2,1-6H3;7-9,12,14,17,20H,10-11,13H2,1-6H3;2*14-16,19H,7-13H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3/t2*16-;;2*16-;;;;/m10.10..../s1.

What are the key properties of 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?

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 has a molecular weight of 2709.33 g/mol, XLogP of 39.94, 36 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158038861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158038861 — identifiers, structure, computed properties (public domain)

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