5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane

C13H30N2O4 — CID 176555821

IUPAC5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane
SMILESCC(=O)CCCOCCOCCN.CCC.NC=O
InChIInChI=1S/C9H19NO3.C3H8.CH3NO/c1-9(11)3-2-5-12-7-8-13-6-4-10;1-3-2;2-1-3/h2-8,10H2,1H3;3H2,1-2H3;1H,(H2,2,3)
InChIKeyGMYDBRPBMNIOMQ-UHFFFAOYSA-N
MW278.39 g/mol
LogP0.87
Rot. Bonds9

About 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane

5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane (PubChem CID 176555821) has the molecular formula C13H30N2O4 and a molecular weight of 278.39 g/mol. Its IUPAC name is 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane.

Molecular Properties

Compound Name5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane
PubChem CID176555821
Molecular FormulaC13H30N2O4
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane
SMILESCC(=O)CCCOCCOCCN.CCC.NC=O
InChIInChI=1S/C9H19NO3.C3H8.CH3NO/c1-9(11)3-2-5-12-7-8-13-6-4-10;1-3-2;2-1-3/h2-8,10H2,1H3;3H2,1-2H3;1H,(H2,2,3)
InChIKeyGMYDBRPBMNIOMQ-UHFFFAOYSA-N
XLogP0.87
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane?
The IUPAC name of 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane (CID 176555821) is 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane.
What is the SMILES notation for 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane?
The canonical SMILES for 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane is CC(=O)CCCOCCOCCN.CCC.NC=O.
What is the InChIKey of 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane?
The InChIKey is GMYDBRPBMNIOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3.C3H8.CH3NO/c1-9(11)3-2-5-12-7-8-13-6-4-10;1-3-2;2-1-3/h2-8,10H2,1H3;3H2,1-2H3;1H,(H2,2,3).
What are the key properties of 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane?
5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane has a molecular weight of 278.39 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one;formamide;propane is sourced from PubChem (CID 176555821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).