6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one

C14H28N2O3 — CID 143826266

IUPAC6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCOOCC1CCCN1C(=O)CCCCCN
InChIInChI=1S/C14H28N2O3/c1-2-11-18-19-12-13-7-6-10-16(13)14(17)8-4-3-5-9-15/h13H,2-12,15H2,1H3
InChIKeyXYTSQESLUYUWQH-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.85
Rot. Bonds10

About 6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one

6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 143826266) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID143826266
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCOOCC1CCCN1C(=O)CCCCCN
InChIInChI=1S/C14H28N2O3/c1-2-11-18-19-12-13-7-6-10-16(13)14(17)8-4-3-5-9-15/h13H,2-12,15H2,1H3
InChIKeyXYTSQESLUYUWQH-UHFFFAOYSA-N
XLogP1.85
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one (CID 143826266) is 6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one is CCCOOCC1CCCN1C(=O)CCCCCN.
What is the InChIKey of 6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is XYTSQESLUYUWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-2-11-18-19-12-13-7-6-10-16(13)14(17)8-4-3-5-9-15/h13H,2-12,15H2,1H3.
What are the key properties of 6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one?
6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 272.39 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(propylperoxymethyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 143826266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).