7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane

C13H23N — CID 170081976

IUPAC7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane
SMILESCCN1CC(C)CC2CC3C2CCC31
InChIInChI=1S/C13H23N/c1-3-14-8-9(2)6-10-7-12-11(10)4-5-13(12)14/h9-13H,3-8H2,1-2H3
InChIKeyAJSFRRMFXDWHQI-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.76
Rot. Bonds1

About 7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane

7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane (PubChem CID 170081976) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane.

Molecular Properties

Compound Name7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane
PubChem CID170081976
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane
SMILESCCN1CC(C)CC2CC3C2CCC31
InChIInChI=1S/C13H23N/c1-3-14-8-9(2)6-10-7-12-11(10)4-5-13(12)14/h9-13H,3-8H2,1-2H3
InChIKeyAJSFRRMFXDWHQI-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane?
The IUPAC name of 7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane (CID 170081976) is 7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane.
What is the SMILES notation for 7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane?
The canonical SMILES for 7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane is CCN1CC(C)CC2CC3C2CCC31.
What is the InChIKey of 7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane?
The InChIKey is AJSFRRMFXDWHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-14-8-9(2)6-10-7-12-11(10)4-5-13(12)14/h9-13H,3-8H2,1-2H3.
What are the key properties of 7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane?
7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane has a molecular weight of 193.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane is sourced from PubChem (CID 170081976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).