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

C13H24N2O — CID 156712502

IUPACacetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane
SMILESC#C.C1NCC12COC2.NC1CCCCC1
InChIInChI=1S/C6H13N.C5H9NO.C2H2/c7-6-4-2-1-3-5-6;1-5(2-6-1)3-7-4-5;1-2/h6H,1-5,7H2;6H,1-4H2;1-2H
InChIKeySKIQHSCQDBYYGK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.13
Rot. Bonds

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

acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane (PubChem CID 156712502) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Nameacetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane
PubChem CID156712502
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameacetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane
SMILESC#C.C1NCC12COC2.NC1CCCCC1
InChIInChI=1S/C6H13N.C5H9NO.C2H2/c7-6-4-2-1-3-5-6;1-5(2-6-1)3-7-4-5;1-2/h6H,1-5,7H2;6H,1-4H2;1-2H
InChIKeySKIQHSCQDBYYGK-UHFFFAOYSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane (CID 156712502) is acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane is C#C.C1NCC12COC2.NC1CCCCC1.
What is the InChIKey of acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is SKIQHSCQDBYYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H9NO.C2H2/c7-6-4-2-1-3-5-6;1-5(2-6-1)3-7-4-5;1-2/h6H,1-5,7H2;6H,1-4H2;1-2H.
What are the key properties of acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane?
acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 224.35 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 156712502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).