2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane)

C161H368N10O20S3 — CID 158041266

About 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane)

2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane) (PubChem CID 158041266) has the molecular formula C161H368N10O20S3 and a molecular weight of 2860.97 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane).

Molecular Properties

• Compound Name: 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane)
• PubChem CID: 158041266
• Molecular Formula: C161H368N10O20S3
• Molecular Weight: 2860.97 g/mol
• Exact Mass: 2858.72
• IUPAC Name: 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane)
• SMILES: CC(C)(C)CCCCCCCCN.CC(C)(C)CCCCOCCCN.CC(C)(C)CCCOCCN.CC(C)(C)CCOCCOCCN.CC(C)(C)COC/C=C\COCCNC(C)(C)C.CC(C)(C)COCCCOCCCOC(C)(C)C.CC(C)(C)COCCCS(=O)(=O)CCN.CC(C)(C)COCCCS(=O)CCN.CC(C)(C)COCCCSCCNC(C)(C)C.CC(C)(C)COCCOCCCN.CC(C)(C)COCCOCCOCCCCN.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
• InChI: InChI=1S/C15H31NO2.C15H32O3.C14H31NOS.C13H29NO3.C12H27N.C11H25NO.C10H23NO3S.C10H23NO2S.2C10H23NO2.C9H21NO.8C4H10/c1-14(2,3)13-18-11-8-7-10-17-12-9-16-15(4,5)6;1-14(2,3)13-17-11-7-9-16-10-8-12-18-15(4,5)6;1-13(2,3)12-16-9-7-10-17-11-8-15-14(4,5)6;1-13(2,3)12-17-11-10-16-9-8-15-7-5-4-6-14;1-12(2,3)10-8-6-4-5-7-9-11-13;1-11(2,3)7-4-5-9-13-10-6-8-12;1-10(2,3)9-14-6-4-7-15(12,13)8-5-11;1-10(2,3)9-13-6-4-7-14(12)8-5-11;1-10(2,3)4-6-12-8-9-13-7-5-11;1-10(2,3)9-13-8-7-12-6-4-5-11;1-9(2,3)5-4-7-11-8-6-10;8*1-4(2)3/h7-8,16H,9-13H2,1-6H3;7-13H2,1-6H3;15H,7-12H2,1-6H3;4-12,14H2,1-3H3;4-11,13H2,1-3H3;4-10,12H2,1-3H3;4-9,11H2,1-3H3;4-9,11H2,1-3H3;2*4-9,11H2,1-3H3;4-8,10H2,1-3H3;8*4H,1-3H3/b8-7-
• InChIKey: FIJOBNDNHWDGBY-NZYISGHNSA-N
• XLogP: 38.22
• TPSA: 440.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 83
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2860.97
LogP ≤ 5	38.22
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane)?

The IUPAC name of 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane) (CID 158041266) is 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane).

What is the SMILES notation for 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane)?

The canonical SMILES for 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane) is CC(C)(C)CCCCCCCCN.CC(C)(C)CCCCOCCCN.CC(C)(C)CCCOCCN.CC(C)(C)CCOCCOCCN.CC(C)(C)COC/C=C\COCCNC(C)(C)C.CC(C)(C)COCCCOCCCOC(C)(C)C.CC(C)(C)COCCCS(=O)(=O)CCN.CC(C)(C)COCCCS(=O)CCN.CC(C)(C)COCCCSCCNC(C)(C)C.CC(C)(C)COCCOCCCN.CC(C)(C)COCCOCCOCCCCN.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.

What is the InChIKey of 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane)?

The InChIKey is FIJOBNDNHWDGBY-NZYISGHNSA-N. The full InChI is InChI=1S/C15H31NO2.C15H32O3.C14H31NOS.C13H29NO3.C12H27N.C11H25NO.C10H23NO3S.C10H23NO2S.2C10H23NO2.C9H21NO.8C4H10/c1-14(2,3)13-18-11-8-7-10-17-12-9-16-15(4,5)6;1-14(2,3)13-17-11-7-9-16-10-8-12-18-15(4,5)6;1-13(2,3)12-16-9-7-10-17-11-8-15-14(4,5)6;1-13(2,3)12-17-11-10-16-9-8-15-7-5-4-6-14;1-12(2,3)10-8-6-4-5-7-9-11-13;1-11(2,3)7-4-5-9-13-10-6-8-12;1-10(2,3)9-14-6-4-7-15(12,13)8-5-11;1-10(2,3)9-13-6-4-7-14(12)8-5-11;1-10(2,3)4-6-12-8-9-13-7-5-11;1-10(2,3)9-13-8-7-12-6-4-5-11;1-9(2,3)5-4-7-11-8-6-10;8*1-4(2)3/h7-8,16H,9-13H2,1-6H3;7-13H2,1-6H3;15H,7-12H2,1-6H3;4-12,14H2,1-3H3;4-11,13H2,1-3H3;4-10,12H2,1-3H3;4-9,11H2,1-3H3;4-9,11H2,1-3H3;2*4-9,11H2,1-3H3;4-8,10H2,1-3H3;8*4H,1-3H3/b8-7-;;;;;;;;;;;;;;;;;;.

What are the key properties of 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane)?

2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane) has a molecular weight of 2860.97 g/mol, XLogP of 38.22, 83 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,3-dimethylbutoxy)ethoxy]ethanamine;9,9-dimethyldecan-1-amine;3-(5,5-dimethylhexoxy)propan-1-amine;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-(4,4-dimethylpentoxy)ethanamine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;3-[2-(2,2-dimethylpropoxy)ethoxy]propan-1-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine;2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethanamine;2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethanamine;octakis(2-methylpropane) is sourced from PubChem (CID 158041266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).