3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane

C15H22N2O — CID 91081660

IUPAC3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
SMILESCCC(C)COc1cncc(N2CC3CC3C2)c1
InChIInChI=1S/C15H22N2O/c1-3-11(2)10-18-15-5-14(6-16-7-15)17-8-12-4-13(12)9-17/h5-7,11-13H,3-4,8-10H2,1-2H3
InChIKeyOMWYAFXSROSQBC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.96
Rot. Bonds5

About 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane

3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 91081660) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
PubChem CID91081660
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
SMILESCCC(C)COc1cncc(N2CC3CC3C2)c1
InChIInChI=1S/C15H22N2O/c1-3-11(2)10-18-15-5-14(6-16-7-15)17-8-12-4-13(12)9-17/h5-7,11-13H,3-4,8-10H2,1-2H3
InChIKeyOMWYAFXSROSQBC-UHFFFAOYSA-N
XLogP2.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane (CID 91081660) is 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane is CCC(C)COc1cncc(N2CC3CC3C2)c1.
What is the InChIKey of 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is OMWYAFXSROSQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-11(2)10-18-15-5-14(6-16-7-15)17-8-12-4-13(12)9-17/h5-7,11-13H,3-4,8-10H2,1-2H3.
What are the key properties of 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 246.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91081660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).