5-(2-methylbutyl)-5-azaspiro[3.4]octane

C12H23N — CID 130635096

IUPAC5-(2-methylbutyl)-5-azaspiro[3.4]octane
SMILESCCC(C)CN1CCCC12CCC2
InChIInChI=1S/C12H23N/c1-3-11(2)10-13-9-5-8-12(13)6-4-7-12/h11H,3-10H2,1-2H3
InChIKeyARKULTGZOONWMI-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds3

About 5-(2-methylbutyl)-5-azaspiro[3.4]octane

5-(2-methylbutyl)-5-azaspiro[3.4]octane (PubChem CID 130635096) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 5-(2-methylbutyl)-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name5-(2-methylbutyl)-5-azaspiro[3.4]octane
PubChem CID130635096
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name5-(2-methylbutyl)-5-azaspiro[3.4]octane
SMILESCCC(C)CN1CCCC12CCC2
InChIInChI=1S/C12H23N/c1-3-11(2)10-13-9-5-8-12(13)6-4-7-12/h11H,3-10H2,1-2H3
InChIKeyARKULTGZOONWMI-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutyl)-5-azaspiro[3.4]octane?
The IUPAC name of 5-(2-methylbutyl)-5-azaspiro[3.4]octane (CID 130635096) is 5-(2-methylbutyl)-5-azaspiro[3.4]octane.
What is the SMILES notation for 5-(2-methylbutyl)-5-azaspiro[3.4]octane?
The canonical SMILES for 5-(2-methylbutyl)-5-azaspiro[3.4]octane is CCC(C)CN1CCCC12CCC2.
What is the InChIKey of 5-(2-methylbutyl)-5-azaspiro[3.4]octane?
The InChIKey is ARKULTGZOONWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-11(2)10-13-9-5-8-12(13)6-4-7-12/h11H,3-10H2,1-2H3.
What are the key properties of 5-(2-methylbutyl)-5-azaspiro[3.4]octane?
5-(2-methylbutyl)-5-azaspiro[3.4]octane has a molecular weight of 181.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutyl)-5-azaspiro[3.4]octane is sourced from PubChem (CID 130635096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).