3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane

C15H23N3O — CID 134510590

IUPAC3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCCC(C)N1CC2CC(C1)N2c1ccc(OC)nc1
InChIInChI=1S/C15H23N3O/c1-4-11(2)17-9-13-7-14(10-17)18(13)12-5-6-15(19-3)16-8-12/h5-6,8,11,13-14H,4,7,9-10H2,1-3H3
InChIKeyQOXRHNZMVIRDIN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.15
Rot. Bonds4

About 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane

3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134510590) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134510590
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCCC(C)N1CC2CC(C1)N2c1ccc(OC)nc1
InChIInChI=1S/C15H23N3O/c1-4-11(2)17-9-13-7-14(10-17)18(13)12-5-6-15(19-3)16-8-12/h5-6,8,11,13-14H,4,7,9-10H2,1-3H3
InChIKeyQOXRHNZMVIRDIN-UHFFFAOYSA-N
XLogP2.15
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane (CID 134510590) is 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane is CCC(C)N1CC2CC(C1)N2c1ccc(OC)nc1.
What is the InChIKey of 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is QOXRHNZMVIRDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-11(2)17-9-13-7-14(10-17)18(13)12-5-6-15(19-3)16-8-12/h5-6,8,11,13-14H,4,7,9-10H2,1-3H3.
What are the key properties of 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane?
3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 261.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134510590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).