5-ethyl-3-azaspiro[5.11]heptadecane

C18H35N — CID 79321032

IUPAC5-ethyl-3-azaspiro[5.11]heptadecane
SMILESCCC1CNCCC12CCCCCCCCCCC2
InChIInChI=1S/C18H35N/c1-2-17-16-19-15-14-18(17)12-10-8-6-4-3-5-7-9-11-13-18/h17,19H,2-16H2,1H3
InChIKeyUWXDZSLEBCXFID-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.30
Rot. Bonds1

About 5-ethyl-3-azaspiro[5.11]heptadecane

5-ethyl-3-azaspiro[5.11]heptadecane (PubChem CID 79321032) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 5-ethyl-3-azaspiro[5.11]heptadecane.

Molecular Properties

Compound Name5-ethyl-3-azaspiro[5.11]heptadecane
PubChem CID79321032
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name5-ethyl-3-azaspiro[5.11]heptadecane
SMILESCCC1CNCCC12CCCCCCCCCCC2
InChIInChI=1S/C18H35N/c1-2-17-16-19-15-14-18(17)12-10-8-6-4-3-5-7-9-11-13-18/h17,19H,2-16H2,1H3
InChIKeyUWXDZSLEBCXFID-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-azaspiro[5.11]heptadecane?
The IUPAC name of 5-ethyl-3-azaspiro[5.11]heptadecane (CID 79321032) is 5-ethyl-3-azaspiro[5.11]heptadecane.
What is the SMILES notation for 5-ethyl-3-azaspiro[5.11]heptadecane?
The canonical SMILES for 5-ethyl-3-azaspiro[5.11]heptadecane is CCC1CNCCC12CCCCCCCCCCC2.
What is the InChIKey of 5-ethyl-3-azaspiro[5.11]heptadecane?
The InChIKey is UWXDZSLEBCXFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-2-17-16-19-15-14-18(17)12-10-8-6-4-3-5-7-9-11-13-18/h17,19H,2-16H2,1H3.
What are the key properties of 5-ethyl-3-azaspiro[5.11]heptadecane?
5-ethyl-3-azaspiro[5.11]heptadecane has a molecular weight of 265.48 g/mol, XLogP of 5.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-azaspiro[5.11]heptadecane is sourced from PubChem (CID 79321032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).