5-[2-(2-aminoethoxy)ethoxy]pentan-2-one

C9H19NO3 — CID 58403473

IUPAC5-[2-(2-aminoethoxy)ethoxy]pentan-2-one
SMILESCC(=O)CCCOCCOCCN
InChIInChI=1S/C9H19NO3/c1-9(11)3-2-5-12-7-8-13-6-4-10/h2-8,10H2,1H3
InChIKeyBPSQHQYWHCUZKI-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.35
Rot. Bonds9

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

5-[2-(2-aminoethoxy)ethoxy]pentan-2-one (PubChem CID 58403473) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one.

Molecular Properties

Compound Name5-[2-(2-aminoethoxy)ethoxy]pentan-2-one
PubChem CID58403473
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name5-[2-(2-aminoethoxy)ethoxy]pentan-2-one
SMILESCC(=O)CCCOCCOCCN
InChIInChI=1S/C9H19NO3/c1-9(11)3-2-5-12-7-8-13-6-4-10/h2-8,10H2,1H3
InChIKeyBPSQHQYWHCUZKI-UHFFFAOYSA-N
XLogP0.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-Aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one
CID 58479120
1-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 58572820
4-[2-(2-Aminoethoxy)ethoxy]butan-2-one
CID 58992381
1-[2-(2-Aminoethoxy)ethoxy]pentan-2-one
CID 117838273
1-[2-[2-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 130193003
1-[2-(2-Aminoethoxy)ethoxy]pentan-3-one
CID 142523135
1-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]hexan-3-one
CID 156047050
5-[2-(2-Aminoethoxy)-2-methylbutoxy]-5-methylhexan-2-one
CID 163846800
5-[2-(2-Aminoethoxy)ethoxy]pentan-2-one;formamide;propane
CID 176555821
1-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane
CID 177060831
5-(2-Aminoethoxy)pentan-2-one
CID 148390467
6-(2-Aminoethoxy)hexan-3-one
CID 158645779

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one?
The IUPAC name of 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one (CID 58403473) is 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one.
What is the SMILES notation for 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one?
The canonical SMILES for 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one is CC(=O)CCCOCCOCCN.
What is the InChIKey of 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one?
The InChIKey is BPSQHQYWHCUZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(11)3-2-5-12-7-8-13-6-4-10/h2-8,10H2,1H3.
What are the key properties of 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one?
5-[2-(2-aminoethoxy)ethoxy]pentan-2-one has a molecular weight of 189.25 g/mol, XLogP of 0.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethoxy)ethoxy]pentan-2-one is sourced from PubChem (CID 58403473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).