2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane

C14H28N2O — CID 166567281

IUPAC2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane
SMILESCCOCCN1CCC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C14H28N2O/c1-5-17-9-8-15-7-6-14(10-15)11-16(12-14)13(2,3)4/h5-12H2,1-4H3
InChIKeyHTXQORUEYUHKOW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.83
Rot. Bonds4

About 2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane

2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane (PubChem CID 166567281) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane
PubChem CID166567281
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane
SMILESCCOCCN1CCC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C14H28N2O/c1-5-17-9-8-15-7-6-14(10-15)11-16(12-14)13(2,3)4/h5-12H2,1-4H3
InChIKeyHTXQORUEYUHKOW-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane (CID 166567281) is 2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane is CCOCCN1CCC2(C1)CN(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is HTXQORUEYUHKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-17-9-8-15-7-6-14(10-15)11-16(12-14)13(2,3)4/h5-12H2,1-4H3.
What are the key properties of 2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane?
2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 240.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 166567281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).