3-ethyl-6-azabicyclo[3.1.1]heptane

C8H15N — CID 142532170

IUPAC3-ethyl-6-azabicyclo[3.1.1]heptane
SMILESCCC1CC2CC(C1)N2
InChIInChI=1S/C8H15N/c1-2-6-3-7-5-8(4-6)9-7/h6-9H,2-5H2,1H3
InChIKeyFHXCFZWBJIUQBJ-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.54
Rot. Bonds1

About 3-ethyl-6-azabicyclo[3.1.1]heptane

3-ethyl-6-azabicyclo[3.1.1]heptane (PubChem CID 142532170) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 3-ethyl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-ethyl-6-azabicyclo[3.1.1]heptane
PubChem CID142532170
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name3-ethyl-6-azabicyclo[3.1.1]heptane
SMILESCCC1CC2CC(C1)N2
InChIInChI=1S/C8H15N/c1-2-6-3-7-5-8(4-6)9-7/h6-9H,2-5H2,1H3
InChIKeyFHXCFZWBJIUQBJ-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-ethyl-6-azabicyclo[3.1.1]heptane (CID 142532170) is 3-ethyl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-ethyl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-ethyl-6-azabicyclo[3.1.1]heptane is CCC1CC2CC(C1)N2.
What is the InChIKey of 3-ethyl-6-azabicyclo[3.1.1]heptane?
The InChIKey is FHXCFZWBJIUQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-6-3-7-5-8(4-6)9-7/h6-9H,2-5H2,1H3.
What are the key properties of 3-ethyl-6-azabicyclo[3.1.1]heptane?
3-ethyl-6-azabicyclo[3.1.1]heptane has a molecular weight of 125.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 142532170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).