5-tert-butyl-5-azaspiro[2.5]octan-8-amine

C11H22N2 — CID 160902227

IUPAC5-tert-butyl-5-azaspiro[2.5]octan-8-amine
SMILESCC(C)(C)N1CCC(N)C2(CC2)C1
InChIInChI=1S/C11H22N2/c1-10(2,3)13-7-4-9(12)11(8-13)5-6-11/h9H,4-8,12H2,1-3H3
InChIKeyXHGLDWNJTBIXJR-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds

About 5-tert-butyl-5-azaspiro[2.5]octan-8-amine

5-tert-butyl-5-azaspiro[2.5]octan-8-amine (PubChem CID 160902227) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-tert-butyl-5-azaspiro[2.5]octan-8-amine.

Molecular Properties

Compound Name5-tert-butyl-5-azaspiro[2.5]octan-8-amine
PubChem CID160902227
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name5-tert-butyl-5-azaspiro[2.5]octan-8-amine
SMILESCC(C)(C)N1CCC(N)C2(CC2)C1
InChIInChI=1S/C11H22N2/c1-10(2,3)13-7-4-9(12)11(8-13)5-6-11/h9H,4-8,12H2,1-3H3
InChIKeyXHGLDWNJTBIXJR-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-azaspiro[2.5]octan-8-amine?
The IUPAC name of 5-tert-butyl-5-azaspiro[2.5]octan-8-amine (CID 160902227) is 5-tert-butyl-5-azaspiro[2.5]octan-8-amine.
What is the SMILES notation for 5-tert-butyl-5-azaspiro[2.5]octan-8-amine?
The canonical SMILES for 5-tert-butyl-5-azaspiro[2.5]octan-8-amine is CC(C)(C)N1CCC(N)C2(CC2)C1.
What is the InChIKey of 5-tert-butyl-5-azaspiro[2.5]octan-8-amine?
The InChIKey is XHGLDWNJTBIXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2,3)13-7-4-9(12)11(8-13)5-6-11/h9H,4-8,12H2,1-3H3.
What are the key properties of 5-tert-butyl-5-azaspiro[2.5]octan-8-amine?
5-tert-butyl-5-azaspiro[2.5]octan-8-amine has a molecular weight of 182.31 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-azaspiro[2.5]octan-8-amine is sourced from PubChem (CID 160902227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).