4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene

C13H23N — CID 138627664

IUPAC4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene
SMILESCCC1=CC2(CC2)N(C(C)(C)C)CC1
InChIInChI=1S/C13H23N/c1-5-11-6-9-14(12(2,3)4)13(10-11)7-8-13/h10H,5-9H2,1-4H3
InChIKeyYXTCIFPPFLWRQY-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.36
Rot. Bonds1

About 4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene

4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene (PubChem CID 138627664) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene.

Molecular Properties

Compound Name4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene
PubChem CID138627664
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene
SMILESCCC1=CC2(CC2)N(C(C)(C)C)CC1
InChIInChI=1S/C13H23N/c1-5-11-6-9-14(12(2,3)4)13(10-11)7-8-13/h10H,5-9H2,1-4H3
InChIKeyYXTCIFPPFLWRQY-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene?
The IUPAC name of 4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene (CID 138627664) is 4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene.
What is the SMILES notation for 4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene?
The canonical SMILES for 4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene is CCC1=CC2(CC2)N(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene?
The InChIKey is YXTCIFPPFLWRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-5-11-6-9-14(12(2,3)4)13(10-11)7-8-13/h10H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene?
4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene has a molecular weight of 193.33 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-ethyl-4-azaspiro[2.5]oct-7-ene is sourced from PubChem (CID 138627664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).