N,2-dimethyl-3-methylperoxyprop-1-en-1-amine

C6H13NO2 — CID 76828447

IUPACN,2-dimethyl-3-methylperoxyprop-1-en-1-amine
SMILESCNC=C(C)COOC
InChIInChI=1S/C6H13NO2/c1-6(4-7-2)5-9-8-3/h4,7H,5H2,1-3H3
InChIKeyQJPMEYZHPPRYRM-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.69
Rot. Bonds4

About N,2-dimethyl-3-methylperoxyprop-1-en-1-amine

N,2-dimethyl-3-methylperoxyprop-1-en-1-amine (PubChem CID 76828447) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N,2-dimethyl-3-methylperoxyprop-1-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-methylperoxyprop-1-en-1-amine
PubChem CID76828447
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN,2-dimethyl-3-methylperoxyprop-1-en-1-amine
SMILESCNC=C(C)COOC
InChIInChI=1S/C6H13NO2/c1-6(4-7-2)5-9-8-3/h4,7H,5H2,1-3H3
InChIKeyQJPMEYZHPPRYRM-UHFFFAOYSA-N
XLogP0.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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,2-dimethyl-3-methylperoxyprop-1-en-1-amine?
The IUPAC name of N,2-dimethyl-3-methylperoxyprop-1-en-1-amine (CID 76828447) is N,2-dimethyl-3-methylperoxyprop-1-en-1-amine.
What is the SMILES notation for N,2-dimethyl-3-methylperoxyprop-1-en-1-amine?
The canonical SMILES for N,2-dimethyl-3-methylperoxyprop-1-en-1-amine is CNC=C(C)COOC.
What is the InChIKey of N,2-dimethyl-3-methylperoxyprop-1-en-1-amine?
The InChIKey is QJPMEYZHPPRYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(4-7-2)5-9-8-3/h4,7H,5H2,1-3H3.
What are the key properties of N,2-dimethyl-3-methylperoxyprop-1-en-1-amine?
N,2-dimethyl-3-methylperoxyprop-1-en-1-amine has a molecular weight of 131.17 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-methylperoxyprop-1-en-1-amine is sourced from PubChem (CID 76828447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).