4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine

C8H17NO2 — CID 22083224

IUPAC4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(COO)CC1
InChIInChI=1S/C8H17NO2/c1-9-8-4-2-7(3-5-8)6-11-10/h7-10H,2-6H2,1H3
InChIKeyOYJKAYAYNMNBQY-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.25
Rot. Bonds3

About 4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine

4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine (PubChem CID 22083224) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine
PubChem CID22083224
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(COO)CC1
InChIInChI=1S/C8H17NO2/c1-9-8-4-2-7(3-5-8)6-11-10/h7-10H,2-6H2,1H3
InChIKeyOYJKAYAYNMNBQY-UHFFFAOYSA-N
XLogP1.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
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 4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine (CID 22083224) is 4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine is CNC1CCC(COO)CC1.
What is the InChIKey of 4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine?
The InChIKey is OYJKAYAYNMNBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9-8-4-2-7(3-5-8)6-11-10/h7-10H,2-6H2,1H3.
What are the key properties of 4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine?
4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroperoxymethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 22083224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).