7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane

C13H25NO — CID 138625307

IUPAC7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane
SMILESCCCCC(CC)N1CCC2(CCO2)C1
InChIInChI=1S/C13H25NO/c1-3-5-6-12(4-2)14-9-7-13(11-14)8-10-15-13/h12H,3-11H2,1-2H3
InChIKeyMMRDDCIDDJWWFE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.82
Rot. Bonds5

About 7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane

7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane (PubChem CID 138625307) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane
PubChem CID138625307
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane
SMILESCCCCC(CC)N1CCC2(CCO2)C1
InChIInChI=1S/C13H25NO/c1-3-5-6-12(4-2)14-9-7-13(11-14)8-10-15-13/h12H,3-11H2,1-2H3
InChIKeyMMRDDCIDDJWWFE-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane (CID 138625307) is 7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane is CCCCC(CC)N1CCC2(CCO2)C1.
What is the InChIKey of 7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane?
The InChIKey is MMRDDCIDDJWWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-6-12(4-2)14-9-7-13(11-14)8-10-15-13/h12H,3-11H2,1-2H3.
What are the key properties of 7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane?
7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane has a molecular weight of 211.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptan-3-yl-1-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 138625307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).