5-aminooxy-N-propylpentanamide

C8H18N2O2 — CID 58271817

IUPAC5-aminooxy-N-propylpentanamide
SMILESCCCNC(=O)CCCCON
InChIInChI=1S/C8H18N2O2/c1-2-6-10-8(11)5-3-4-7-12-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyLXVMAHTYYUQSMB-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.57
Rot. Bonds7

About 5-aminooxy-N-propylpentanamide

5-aminooxy-N-propylpentanamide (PubChem CID 58271817) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-aminooxy-N-propylpentanamide.

Molecular Properties

Compound Name5-aminooxy-N-propylpentanamide
PubChem CID58271817
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name5-aminooxy-N-propylpentanamide
SMILESCCCNC(=O)CCCCON
InChIInChI=1S/C8H18N2O2/c1-2-6-10-8(11)5-3-4-7-12-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyLXVMAHTYYUQSMB-UHFFFAOYSA-N
XLogP0.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-aminooxy-N-propylpentanamide?
The IUPAC name of 5-aminooxy-N-propylpentanamide (CID 58271817) is 5-aminooxy-N-propylpentanamide.
What is the SMILES notation for 5-aminooxy-N-propylpentanamide?
The canonical SMILES for 5-aminooxy-N-propylpentanamide is CCCNC(=O)CCCCON.
What is the InChIKey of 5-aminooxy-N-propylpentanamide?
The InChIKey is LXVMAHTYYUQSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-2-6-10-8(11)5-3-4-7-12-9/h2-7,9H2,1H3,(H,10,11).
What are the key properties of 5-aminooxy-N-propylpentanamide?
5-aminooxy-N-propylpentanamide has a molecular weight of 174.24 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminooxy-N-propylpentanamide is sourced from PubChem (CID 58271817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).