3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane

C12H16N2 — CID 175933776

IUPAC3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
SMILESCCc1cccc(N2CC3CC3C2)n1
InChIInChI=1S/C12H16N2/c1-2-11-4-3-5-12(13-11)14-7-9-6-10(9)8-14/h3-5,9-10H,2,6-8H2,1H3
InChIKeyWBGQWGFAMILSJZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.10
Rot. Bonds2

About 3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane

3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 175933776) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
PubChem CID175933776
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
SMILESCCc1cccc(N2CC3CC3C2)n1
InChIInChI=1S/C12H16N2/c1-2-11-4-3-5-12(13-11)14-7-9-6-10(9)8-14/h3-5,9-10H,2,6-8H2,1H3
InChIKeyWBGQWGFAMILSJZ-UHFFFAOYSA-N
XLogP2.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane (CID 175933776) is 3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane is CCc1cccc(N2CC3CC3C2)n1.
What is the InChIKey of 3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is WBGQWGFAMILSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-11-4-3-5-12(13-11)14-7-9-6-10(9)8-14/h3-5,9-10H,2,6-8H2,1H3.
What are the key properties of 3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 188.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 175933776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).