1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol

C8H19NO4 — CID 112693098

IUPAC1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
SMILESCOCCOCCOCC(O)CN
InChIInChI=1S/C8H19NO4/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8,10H,2-7,9H2,1H3
InChIKeyCFRPESPLEZFBKM-UHFFFAOYSA-N
MW193.24 g/mol
LogP-1.01
Rot. Bonds9

About 1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol

1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol (PubChem CID 112693098) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
PubChem CID112693098
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
SMILESCOCCOCCOCC(O)CN
InChIInChI=1S/C8H19NO4/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8,10H,2-7,9H2,1H3
InChIKeyCFRPESPLEZFBKM-UHFFFAOYSA-N
XLogP-1.01
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
The IUPAC name of 1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol (CID 112693098) is 1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol is COCCOCCOCC(O)CN.
What is the InChIKey of 1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
The InChIKey is CFRPESPLEZFBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8,10H,2-7,9H2,1H3.
What are the key properties of 1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol has a molecular weight of 193.24 g/mol, XLogP of -1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 112693098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).