propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol)

C60H145NO15S2 — CID 157407774

About propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol)

propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol) (PubChem CID 157407774) has the molecular formula C60H145NO15S2 and a molecular weight of 1184.95 g/mol. Its IUPAC name is propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol).

Molecular Properties

• Compound Name: propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol)
• PubChem CID: 157407774
• Molecular Formula: C60H145NO15S2
• Molecular Weight: 1184.95 g/mol
• Exact Mass: 1184.01
• IUPAC Name: propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol)
• SMILES: CCC.CCC.CCC.CCC.CCC.CCC.CCCOCCOCCN.CCCOCCOCCO.CCCOCCOCCO.CCCOCCOCCO.CCCOCCOCCS.CCCOCCOCCS
• InChI: InChI=1S/C7H17NO2.3C7H16O3.2C7H16O2S.6C3H8/c4*1-2-4-9-6-7-10-5-3-8;2*1-2-3-8-4-5-9-6-7-10;6*1-3-2/h2-8H2,1H3;3*8H,2-7H2,1H3;2*10H,2-7H2,1H3;6*3H2,1-2H3
• InChIKey: BNXRNFFHNRUYIN-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 197.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 42
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1184.95
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol)?

The IUPAC name of propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol) (CID 157407774) is propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol).

What is the SMILES notation for propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol)?

The canonical SMILES for propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol) is CCC.CCC.CCC.CCC.CCC.CCC.CCCOCCOCCN.CCCOCCOCCO.CCCOCCOCCO.CCCOCCOCCO.CCCOCCOCCS.CCCOCCOCCS.

What is the InChIKey of propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol)?

The InChIKey is BNXRNFFHNRUYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2.3C7H16O3.2C7H16O2S.6C3H8/c4*1-2-4-9-6-7-10-5-3-8;2*1-2-3-8-4-5-9-6-7-10;6*1-3-2/h2-8H2,1H3;3*8H,2-7H2,1H3;2*10H,2-7H2,1H3;6*3H2,1-2H3.

What are the key properties of propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol)?

propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol) has a molecular weight of 1184.95 g/mol, XLogP of 12.87, 42 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol) is sourced from PubChem (CID 157407774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).