N-(tert-butylperoxymethyl)propan-2-amine

C8H19NO2 — CID 20765328

IUPACN-(tert-butylperoxymethyl)propan-2-amine
SMILESCC(C)NCOOC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-7(2)9-6-10-11-8(3,4)5/h7,9H,6H2,1-5H3
InChIKeyXLTWINNURRNZIQ-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.69
Rot. Bonds4

About N-(tert-butylperoxymethyl)propan-2-amine

N-(tert-butylperoxymethyl)propan-2-amine (PubChem CID 20765328) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is N-(tert-butylperoxymethyl)propan-2-amine.

Molecular Properties

Compound NameN-(tert-butylperoxymethyl)propan-2-amine
PubChem CID20765328
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC NameN-(tert-butylperoxymethyl)propan-2-amine
SMILESCC(C)NCOOC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-7(2)9-6-10-11-8(3,4)5/h7,9H,6H2,1-5H3
InChIKeyXLTWINNURRNZIQ-UHFFFAOYSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 N-(tert-butylperoxymethyl)propan-2-amine?
The IUPAC name of N-(tert-butylperoxymethyl)propan-2-amine (CID 20765328) is N-(tert-butylperoxymethyl)propan-2-amine.
What is the SMILES notation for N-(tert-butylperoxymethyl)propan-2-amine?
The canonical SMILES for N-(tert-butylperoxymethyl)propan-2-amine is CC(C)NCOOC(C)(C)C.
What is the InChIKey of N-(tert-butylperoxymethyl)propan-2-amine?
The InChIKey is XLTWINNURRNZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2)9-6-10-11-8(3,4)5/h7,9H,6H2,1-5H3.
What are the key properties of N-(tert-butylperoxymethyl)propan-2-amine?
N-(tert-butylperoxymethyl)propan-2-amine has a molecular weight of 161.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylperoxymethyl)propan-2-amine is sourced from PubChem (CID 20765328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).