tert-butylperoxymethanamine

C5H13NO2 — CID 141267912

IUPACtert-butylperoxymethanamine
SMILESCC(C)(C)OOCN
InChIInChI=1S/C5H13NO2/c1-5(2,3)8-7-4-6/h4,6H2,1-3H3
InChIKeyVUGMMIHYMIQJQB-UHFFFAOYSA-N
MW119.16 g/mol
LogP0.65
Rot. Bonds2

About tert-butylperoxymethanamine

tert-butylperoxymethanamine (PubChem CID 141267912) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is tert-butylperoxymethanamine.

Molecular Properties

Compound Nametert-butylperoxymethanamine
PubChem CID141267912
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Nametert-butylperoxymethanamine
SMILESCC(C)(C)OOCN
InChIInChI=1S/C5H13NO2/c1-5(2,3)8-7-4-6/h4,6H2,1-3H3
InChIKeyVUGMMIHYMIQJQB-UHFFFAOYSA-N
XLogP0.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane
CID 175369283
2-methyl-2-prop-2-enylperoxypropane
CID 13462609
2-tert-butylperoxy-2-methylpropane;hydron
CID 174785331
2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane
CID 141108710
N-(tert-butylperoxymethyl)propan-2-amine
CID 20765328
sodium;2-tert-butylperoxy-2-methylpropane;hydride
CID 175059637
1-tert-butylperoxy-10,10-dimethylundecane
CID 150329885
3-tert-butylperoxy-2-oxopropanoate
CID 19431105
1,1-bis(tert-butylperoxymethyl)cyclododecane
CID 140561701
1-tert-butylperoxy-4-methylpentane
CID 154132694
acetic acid;ethyl 2-tert-butylperoxyacetate
CID 175062374
2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane
CID 160538255

Frequently Asked Questions

What is the IUPAC name of tert-butylperoxymethanamine?
The IUPAC name of tert-butylperoxymethanamine (CID 141267912) is tert-butylperoxymethanamine.
What is the SMILES notation for tert-butylperoxymethanamine?
The canonical SMILES for tert-butylperoxymethanamine is CC(C)(C)OOCN.
What is the InChIKey of tert-butylperoxymethanamine?
The InChIKey is VUGMMIHYMIQJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-5(2,3)8-7-4-6/h4,6H2,1-3H3.
What are the key properties of tert-butylperoxymethanamine?
tert-butylperoxymethanamine has a molecular weight of 119.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylperoxymethanamine is sourced from PubChem (CID 141267912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).