1-(2-propoxyethylamino)pentan-2-one

C10H21NO2 — CID 123862001

IUPAC1-(2-propoxyethylamino)pentan-2-one
SMILESCCCOCCNCC(=O)CCC
InChIInChI=1S/C10H21NO2/c1-3-5-10(12)9-11-6-8-13-7-4-2/h11H,3-9H2,1-2H3
InChIKeyPKBVGCFYWNPDHG-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.37
Rot. Bonds9

About 1-(2-propoxyethylamino)pentan-2-one

1-(2-propoxyethylamino)pentan-2-one (PubChem CID 123862001) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(2-propoxyethylamino)pentan-2-one.

Molecular Properties

Compound Name1-(2-propoxyethylamino)pentan-2-one
PubChem CID123862001
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(2-propoxyethylamino)pentan-2-one
SMILESCCCOCCNCC(=O)CCC
InChIInChI=1S/C10H21NO2/c1-3-5-10(12)9-11-6-8-13-7-4-2/h11H,3-9H2,1-2H3
InChIKeyPKBVGCFYWNPDHG-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-propoxyethylamino)pentan-2-one?
The IUPAC name of 1-(2-propoxyethylamino)pentan-2-one (CID 123862001) is 1-(2-propoxyethylamino)pentan-2-one.
What is the SMILES notation for 1-(2-propoxyethylamino)pentan-2-one?
The canonical SMILES for 1-(2-propoxyethylamino)pentan-2-one is CCCOCCNCC(=O)CCC.
What is the InChIKey of 1-(2-propoxyethylamino)pentan-2-one?
The InChIKey is PKBVGCFYWNPDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-10(12)9-11-6-8-13-7-4-2/h11H,3-9H2,1-2H3.
What are the key properties of 1-(2-propoxyethylamino)pentan-2-one?
1-(2-propoxyethylamino)pentan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethylamino)pentan-2-one is sourced from PubChem (CID 123862001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).