2-ethyl-2-azaspiro[3.3]heptane

C8H15N — CID 130337259

IUPAC2-ethyl-2-azaspiro[3.3]heptane
SMILESCCN1CC2(CCC2)C1
InChIInChI=1S/C8H15N/c1-2-9-6-8(7-9)4-3-5-8/h2-7H2,1H3
InChIKeyKUKWVNHPDVTWKJ-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.49
Rot. Bonds1

About 2-ethyl-2-azaspiro[3.3]heptane

2-ethyl-2-azaspiro[3.3]heptane (PubChem CID 130337259) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2-ethyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-ethyl-2-azaspiro[3.3]heptane
PubChem CID130337259
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2-ethyl-2-azaspiro[3.3]heptane
SMILESCCN1CC2(CCC2)C1
InChIInChI=1S/C8H15N/c1-2-9-6-8(7-9)4-3-5-8/h2-7H2,1H3
InChIKeyKUKWVNHPDVTWKJ-UHFFFAOYSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-azaspiro[3.3]heptane?
The IUPAC name of 2-ethyl-2-azaspiro[3.3]heptane (CID 130337259) is 2-ethyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-ethyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-ethyl-2-azaspiro[3.3]heptane is CCN1CC2(CCC2)C1.
What is the InChIKey of 2-ethyl-2-azaspiro[3.3]heptane?
The InChIKey is KUKWVNHPDVTWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-9-6-8(7-9)4-3-5-8/h2-7H2,1H3.
What are the key properties of 2-ethyl-2-azaspiro[3.3]heptane?
2-ethyl-2-azaspiro[3.3]heptane has a molecular weight of 125.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 130337259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).