5-methyl-3-azaspiro[5.5]undecane

C11H21N — CID 79321179

IUPAC5-methyl-3-azaspiro[5.5]undecane
SMILESCC1CNCCC12CCCCC2
InChIInChI=1S/C11H21N/c1-10-9-12-8-7-11(10)5-3-2-4-6-11/h10,12H,2-9H2,1H3
InChIKeyFJUWIPDNHBEBOY-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.57
Rot. Bonds

About 5-methyl-3-azaspiro[5.5]undecane

5-methyl-3-azaspiro[5.5]undecane (PubChem CID 79321179) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-methyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-methyl-3-azaspiro[5.5]undecane
PubChem CID79321179
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-methyl-3-azaspiro[5.5]undecane
SMILESCC1CNCCC12CCCCC2
InChIInChI=1S/C11H21N/c1-10-9-12-8-7-11(10)5-3-2-4-6-11/h10,12H,2-9H2,1H3
InChIKeyFJUWIPDNHBEBOY-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-methyl-3-azaspiro[5.5]undecane (CID 79321179) is 5-methyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-methyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-methyl-3-azaspiro[5.5]undecane is CC1CNCCC12CCCCC2.
What is the InChIKey of 5-methyl-3-azaspiro[5.5]undecane?
The InChIKey is FJUWIPDNHBEBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10-9-12-8-7-11(10)5-3-2-4-6-11/h10,12H,2-9H2,1H3.
What are the key properties of 5-methyl-3-azaspiro[5.5]undecane?
5-methyl-3-azaspiro[5.5]undecane has a molecular weight of 167.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79321179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).