2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane)

C102H188N8O8S — CID 159539482

About 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane)

2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane) (PubChem CID 159539482) has the molecular formula C102H188N8O8S and a molecular weight of 1686.74 g/mol. Its IUPAC name is 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane).

Molecular Properties

• Compound Name: 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane)
• PubChem CID: 159539482
• Molecular Formula: C102H188N8O8S
• Molecular Weight: 1686.74 g/mol
• Exact Mass: 1685.43
• IUPAC Name: 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane)
• SMILES: CC(C)(C)NCCCOc1ccc(C(C)(C)C)nc1.CC(C)C.CC(C)C.CC(C)C.CCCCCOc1ccc(C(C)(C)C)nc1.CCCOC1CCN(CCC(C)(C)C)CC1.CCCS(=O)(=O)c1ccc(OCC(C)(C)C)cc1.C[C@@H](CNC(C)(C)C)Oc1cc(C(C)(C)C)ccn1.C[C@H](CNC(C)(C)C)Oc1cc(C(C)(C)C)ccn1
• InChI: InChI=1S/3C16H28N2O.C14H29NO.C14H23NO.C14H22O3S.3C4H10/c2*1-12(11-18-16(5,6)7)19-14-10-13(8-9-17-14)15(2,3)4;1-15(2,3)14-9-8-13(12-17-14)19-11-7-10-18-16(4,5)6;1-5-12-16-13-6-9-15(10-7-13)11-8-14(2,3)4;1-5-6-7-10-16-12-8-9-13(15-11-12)14(2,3)4;1-5-10-18(15,16)13-8-6-12(7-9-13)17-11-14(2,3)4;3*1-4(2)3/h2*8-10,12,18H,11H2,1-7H3;8-9,12,18H,7,10-11H2,1-6H3;13H,5-12H2,1-4H3;8-9,11H,5-7,10H2,1-4H3;6-9H,5,10-11H2,1-4H3;3*4H,1-3H3/t2*12-;;;;;;;/m10......./s1
• InChIKey: MEACYMAYHLRCDD-KYPPZFHSSA-N
• XLogP: 26.15
• TPSA: 180.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1686.74
LogP ≤ 5	26.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane)?

The IUPAC name of 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane) (CID 159539482) is 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane).

What is the SMILES notation for 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane)?

The canonical SMILES for 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane) is CC(C)(C)NCCCOc1ccc(C(C)(C)C)nc1.CC(C)C.CC(C)C.CC(C)C.CCCCCOc1ccc(C(C)(C)C)nc1.CCCOC1CCN(CCC(C)(C)C)CC1.CCCS(=O)(=O)c1ccc(OCC(C)(C)C)cc1.C[C@@H](CNC(C)(C)C)Oc1cc(C(C)(C)C)ccn1.C[C@H](CNC(C)(C)C)Oc1cc(C(C)(C)C)ccn1.

What is the InChIKey of 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane)?

The InChIKey is MEACYMAYHLRCDD-KYPPZFHSSA-N. The full InChI is InChI=1S/3C16H28N2O.C14H29NO.C14H23NO.C14H22O3S.3C4H10/c2*1-12(11-18-16(5,6)7)19-14-10-13(8-9-17-14)15(2,3)4;1-15(2,3)14-9-8-13(12-17-14)19-11-7-10-18-16(4,5)6;1-5-12-16-13-6-9-15(10-7-13)11-8-14(2,3)4;1-5-6-7-10-16-12-8-9-13(15-11-12)14(2,3)4;1-5-10-18(15,16)13-8-6-12(7-9-13)17-11-14(2,3)4;3*1-4(2)3/h2*8-10,12,18H,11H2,1-7H3;8-9,12,18H,7,10-11H2,1-6H3;13H,5-12H2,1-4H3;8-9,11H,5-7,10H2,1-4H3;6-9H,5,10-11H2,1-4H3;3*4H,1-3H3/t2*12-;;;;;;;/m10......./s1.

What are the key properties of 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane)?

2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane) has a molecular weight of 1686.74 g/mol, XLogP of 26.15, 28 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane) is sourced from PubChem (CID 159539482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).