cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane

C12H24N2O — CID 156712524

IUPACcyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane
SMILESCN1CC2(COC2)C1.NC1CCCCC1
InChIInChI=1S/C6H11NO.C6H13N/c1-7-2-6(3-7)4-8-5-6;7-6-4-2-1-3-5-6/h2-5H2,1H3;6H,1-5,7H2
InChIKeyJQGJLYXEEJYSCE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.23
Rot. Bonds

About cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane

cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 156712524) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Namecyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID156712524
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Namecyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane
SMILESCN1CC2(COC2)C1.NC1CCCCC1
InChIInChI=1S/C6H11NO.C6H13N/c1-7-2-6(3-7)4-8-5-6;7-6-4-2-1-3-5-6/h2-5H2,1H3;6H,1-5,7H2
InChIKeyJQGJLYXEEJYSCE-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane (CID 156712524) is cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane is CN1CC2(COC2)C1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is JQGJLYXEEJYSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H13N/c1-7-2-6(3-7)4-8-5-6;7-6-4-2-1-3-5-6/h2-5H2,1H3;6H,1-5,7H2.
What are the key properties of cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane?
cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 212.34 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 156712524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).