N-(tert-butylperoxymethyl)-N-methylcyclohexanamine

C12H25NO2 — CID 548264

IUPACN-(tert-butylperoxymethyl)-N-methylcyclohexanamine
SMILESCN(COOC(C)(C)C)C1CCCCC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)15-14-10-13(4)11-8-6-5-7-9-11/h11H,5-10H2,1-4H3
InChIKeyQOJOKYWCLSQKCG-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.96
Rot. Bonds4

About N-(tert-butylperoxymethyl)-N-methylcyclohexanamine

N-(tert-butylperoxymethyl)-N-methylcyclohexanamine (PubChem CID 548264) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(tert-butylperoxymethyl)-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-(tert-butylperoxymethyl)-N-methylcyclohexanamine
PubChem CID548264
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(tert-butylperoxymethyl)-N-methylcyclohexanamine
SMILESCN(COOC(C)(C)C)C1CCCCC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)15-14-10-13(4)11-8-6-5-7-9-11/h11H,5-10H2,1-4H3
InChIKeyQOJOKYWCLSQKCG-UHFFFAOYSA-N
XLogP2.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
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

1-N-cyclopentyl-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65266771
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425
2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 114287449
N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 61387284
N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 178121519
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
CID 80551419
N-(chloromethyl)-N-methylcyclopentanamine
CID 115262941
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine
CID 62623516
3-[cyclohexyl(methyl)amino]-2,2-dimethylpropanamide
CID 82040711
N-(5,5-dimethylhexyl)-N-methylcyclopentanamine
CID 170541802

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylperoxymethyl)-N-methylcyclohexanamine?
The IUPAC name of N-(tert-butylperoxymethyl)-N-methylcyclohexanamine (CID 548264) is N-(tert-butylperoxymethyl)-N-methylcyclohexanamine.
What is the SMILES notation for N-(tert-butylperoxymethyl)-N-methylcyclohexanamine?
The canonical SMILES for N-(tert-butylperoxymethyl)-N-methylcyclohexanamine is CN(COOC(C)(C)C)C1CCCCC1.
What is the InChIKey of N-(tert-butylperoxymethyl)-N-methylcyclohexanamine?
The InChIKey is QOJOKYWCLSQKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)15-14-10-13(4)11-8-6-5-7-9-11/h11H,5-10H2,1-4H3.
What are the key properties of N-(tert-butylperoxymethyl)-N-methylcyclohexanamine?
N-(tert-butylperoxymethyl)-N-methylcyclohexanamine has a molecular weight of 215.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylperoxymethyl)-N-methylcyclohexanamine is sourced from PubChem (CID 548264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).