5-amino-1-(2-methoxyethoxy)pentan-2-one

C8H17NO3 — CID 118181956

IUPAC5-amino-1-(2-methoxyethoxy)pentan-2-one
SMILESCOCCOCC(=O)CCCN
InChIInChI=1S/C8H17NO3/c1-11-5-6-12-7-8(10)3-2-4-9/h2-7,9H2,1H3
InChIKeyQMLDTIDBZCWGIJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.04
Rot. Bonds8

About 5-amino-1-(2-methoxyethoxy)pentan-2-one

5-amino-1-(2-methoxyethoxy)pentan-2-one (PubChem CID 118181956) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-amino-1-(2-methoxyethoxy)pentan-2-one.

Molecular Properties

Compound Name5-amino-1-(2-methoxyethoxy)pentan-2-one
PubChem CID118181956
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name5-amino-1-(2-methoxyethoxy)pentan-2-one
SMILESCOCCOCC(=O)CCCN
InChIInChI=1S/C8H17NO3/c1-11-5-6-12-7-8(10)3-2-4-9/h2-7,9H2,1H3
InChIKeyQMLDTIDBZCWGIJ-UHFFFAOYSA-N
XLogP-0.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.04
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methoxyethoxy)pentan-2-one?
The IUPAC name of 5-amino-1-(2-methoxyethoxy)pentan-2-one (CID 118181956) is 5-amino-1-(2-methoxyethoxy)pentan-2-one.
What is the SMILES notation for 5-amino-1-(2-methoxyethoxy)pentan-2-one?
The canonical SMILES for 5-amino-1-(2-methoxyethoxy)pentan-2-one is COCCOCC(=O)CCCN.
What is the InChIKey of 5-amino-1-(2-methoxyethoxy)pentan-2-one?
The InChIKey is QMLDTIDBZCWGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-11-5-6-12-7-8(10)3-2-4-9/h2-7,9H2,1H3.
What are the key properties of 5-amino-1-(2-methoxyethoxy)pentan-2-one?
5-amino-1-(2-methoxyethoxy)pentan-2-one has a molecular weight of 175.23 g/mol, XLogP of -0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methoxyethoxy)pentan-2-one is sourced from PubChem (CID 118181956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).