5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane

C13H25N — CID 175612491

IUPAC5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane
SMILESCCN1C2(CC2)CCC1(C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-6-14-12(5,11(2,3)4)7-8-13(14)9-10-13/h6-10H2,1-5H3
InChIKeyHLYGIXROINPIDM-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.44
Rot. Bonds1

About 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane

5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane (PubChem CID 175612491) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane
PubChem CID175612491
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane
SMILESCCN1C2(CC2)CCC1(C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-6-14-12(5,11(2,3)4)7-8-13(14)9-10-13/h6-10H2,1-5H3
InChIKeyHLYGIXROINPIDM-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane?
The IUPAC name of 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane (CID 175612491) is 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane.
What is the SMILES notation for 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane?
The canonical SMILES for 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane is CCN1C2(CC2)CCC1(C)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane?
The InChIKey is HLYGIXROINPIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-14-12(5,11(2,3)4)7-8-13(14)9-10-13/h6-10H2,1-5H3.
What are the key properties of 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane?
5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane has a molecular weight of 195.35 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane is sourced from PubChem (CID 175612491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).