[5-(ethylperoxymethyl)-2-pyridinyl]methanamine

C9H14N2O2 — CID 88912711

IUPAC[5-(ethylperoxymethyl)-2-pyridinyl]methanamine
SMILESCCOOCc1ccc(CN)nc1
InChIInChI=1S/C9H14N2O2/c1-2-12-13-7-8-3-4-9(5-10)11-6-8/h3-4,6H,2,5,7,10H2,1H3
InChIKeyGZZDZMAWTHAPQG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.01
Rot. Bonds5

About [5-(ethylperoxymethyl)-2-pyridinyl]methanamine

[5-(ethylperoxymethyl)-2-pyridinyl]methanamine (PubChem CID 88912711) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [5-(ethylperoxymethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(ethylperoxymethyl)-2-pyridinyl]methanamine
PubChem CID88912711
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[5-(ethylperoxymethyl)-2-pyridinyl]methanamine
SMILESCCOOCc1ccc(CN)nc1
InChIInChI=1S/C9H14N2O2/c1-2-12-13-7-8-3-4-9(5-10)11-6-8/h3-4,6H,2,5,7,10H2,1H3
InChIKeyGZZDZMAWTHAPQG-UHFFFAOYSA-N
XLogP1.01
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.01
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 [5-(ethylperoxymethyl)-2-pyridinyl]methanamine?
The IUPAC name of [5-(ethylperoxymethyl)-2-pyridinyl]methanamine (CID 88912711) is [5-(ethylperoxymethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(ethylperoxymethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(ethylperoxymethyl)-2-pyridinyl]methanamine is CCOOCc1ccc(CN)nc1.
What is the InChIKey of [5-(ethylperoxymethyl)-2-pyridinyl]methanamine?
The InChIKey is GZZDZMAWTHAPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-12-13-7-8-3-4-9(5-10)11-6-8/h3-4,6H,2,5,7,10H2,1H3.
What are the key properties of [5-(ethylperoxymethyl)-2-pyridinyl]methanamine?
[5-(ethylperoxymethyl)-2-pyridinyl]methanamine has a molecular weight of 182.22 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylperoxymethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 88912711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).