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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane)

C128H237N9O9S — CID 158670681

IUPACN-[(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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane)
SMILESCC.CC.CC(C)(C)CCc1cccc(OC2CC(N)C2)c1.CC(C)(C)CCc1cccc(OC2CC(N)C2)c1.CC(C)(C)NCCCOc1ccc(C(C)(C)C)nc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.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
InChIInChI=1S/3C16H28N2O.2C16H25NO.C14H29NO.C14H22O3S.4C4H10.2C2H6/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;2*1-16(2,3)8-7-12-5-4-6-14(9-12)18-15-10-13(17)11-15;1-5-12-16-13-6-9-15(10-7-13)11-8-14(2,3)4;1-5-10-18(15,16)13-8-6-12(7-9-13)17-11-14(2,3)4;4*1-4(2)3;2*1-2/h2*8-10,12,18H,11H2,1-7H3;8-9,12,18H,7,10-11H2,1-6H3;2*4-6,9,13,15H,7-8,10-11,17H2,1-3H3;13H,5-12H2,1-4H3;6-9H,5,10-11H2,1-4H3;4*4H,1-3H3;2*1-2H3/t2*12-;;;;;;;;;;;/m10.........../s1
InChIKeyIDXHXCCBNXDVSZ-RRHYBAQXSA-N
MW2078.42 g/mol
LogP32.98
Rot. Bonds31

About 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane)

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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane) (PubChem CID 158670681) has the molecular formula C128H237N9O9S and a molecular weight of 2078.42 g/mol. Its IUPAC name is 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane).

Molecular Properties

Compound NameN-[(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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane)
PubChem CID158670681
Molecular FormulaC128H237N9O9S
Molecular Weight2078.42 g/mol
Exact Mass2076.81
IUPAC NameN-[(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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane)
SMILESCC.CC.CC(C)(C)CCc1cccc(OC2CC(N)C2)c1.CC(C)(C)CCc1cccc(OC2CC(N)C2)c1.CC(C)(C)NCCCOc1ccc(C(C)(C)C)nc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.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
InChIInChI=1S/3C16H28N2O.2C16H25NO.C14H29NO.C14H22O3S.4C4H10.2C2H6/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;2*1-16(2,3)8-7-12-5-4-6-14(9-12)18-15-10-13(17)11-15;1-5-12-16-13-6-9-15(10-7-13)11-8-14(2,3)4;1-5-10-18(15,16)13-8-6-12(7-9-13)17-11-14(2,3)4;4*1-4(2)3;2*1-2/h2*8-10,12,18H,11H2,1-7H3;8-9,12,18H,7,10-11H2,1-6H3;2*4-6,9,13,15H,7-8,10-11,17H2,1-3H3;13H,5-12H2,1-4H3;6-9H,5,10-11H2,1-4H3;4*4H,1-3H3;2*1-2H3/t2*12-;;;;;;;;;;;/m10.........../s1
InChIKeyIDXHXCCBNXDVSZ-RRHYBAQXSA-N
XLogP32.98
TPSA228.79 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002078.42
LogP ≤ 532.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane)?
The IUPAC name of 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane) (CID 158670681) is 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane).
What is the SMILES notation for 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane)?
The canonical SMILES for 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane) is CC.CC.CC(C)(C)CCc1cccc(OC2CC(N)C2)c1.CC(C)(C)CCc1cccc(OC2CC(N)C2)c1.CC(C)(C)NCCCOc1ccc(C(C)(C)C)nc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.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 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane)?
The InChIKey is IDXHXCCBNXDVSZ-RRHYBAQXSA-N. The full InChI is InChI=1S/3C16H28N2O.2C16H25NO.C14H29NO.C14H22O3S.4C4H10.2C2H6/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;2*1-16(2,3)8-7-12-5-4-6-14(9-12)18-15-10-13(17)11-15;1-5-12-16-13-6-9-15(10-7-13)11-8-14(2,3)4;1-5-10-18(15,16)13-8-6-12(7-9-13)17-11-14(2,3)4;4*1-4(2)3;2*1-2/h2*8-10,12,18H,11H2,1-7H3;8-9,12,18H,7,10-11H2,1-6H3;2*4-6,9,13,15H,7-8,10-11,17H2,1-3H3;13H,5-12H2,1-4H3;6-9H,5,10-11H2,1-4H3;4*4H,1-3H3;2*1-2H3/t2*12-;;;;;;;;;;;/m10.........../s1.
What are the key properties of 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane)?
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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane) has a molecular weight of 2078.42 g/mol, XLogP of 32.98, 31 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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;bis(3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;ethane;tetrakis(2-methylpropane) is sourced from PubChem (CID 158670681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).