5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane

C13H26N2 — CID 79320349

IUPAC5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane
SMILESCCC1CNCCC12CCCN(C)CC2
InChIInChI=1S/C13H26N2/c1-3-12-11-14-8-6-13(12)5-4-9-15(2)10-7-13/h12,14H,3-11H2,1-2H3
InChIKeyUBUJIXNCFQMXEG-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds1

About 5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane

5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane (PubChem CID 79320349) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane
PubChem CID79320349
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane
SMILESCCC1CNCCC12CCCN(C)CC2
InChIInChI=1S/C13H26N2/c1-3-12-11-14-8-6-13(12)5-4-9-15(2)10-7-13/h12,14H,3-11H2,1-2H3
InChIKeyUBUJIXNCFQMXEG-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane?
The IUPAC name of 5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane (CID 79320349) is 5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane.
What is the SMILES notation for 5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane?
The canonical SMILES for 5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane is CCC1CNCCC12CCCN(C)CC2.
What is the InChIKey of 5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane?
The InChIKey is UBUJIXNCFQMXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-12-11-14-8-6-13(12)5-4-9-15(2)10-7-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane?
5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane has a molecular weight of 210.36 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane is sourced from PubChem (CID 79320349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).