(1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane

C11H15N3 — CID 69423989

IUPAC(1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane
SMILESc1cncc(N2C[C@H]3C[C@@H]2CCN3)c1
InChIInChI=1S/C11H15N3/c1-2-11(7-12-4-1)14-8-9-6-10(14)3-5-13-9/h1-2,4,7,9-10,13H,3,5-6,8H2/t9-,10+/m1/s1
InChIKeyUMPFGRGEHJMUQE-ZJUUUORDSA-N
MW189.26 g/mol
LogP1.02
Rot. Bonds1

About (1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane

(1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane (PubChem CID 69423989) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane
PubChem CID69423989
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane
SMILESc1cncc(N2C[C@H]3C[C@@H]2CCN3)c1
InChIInChI=1S/C11H15N3/c1-2-11(7-12-4-1)14-8-9-6-10(14)3-5-13-9/h1-2,4,7,9-10,13H,3,5-6,8H2/t9-,10+/m1/s1
InChIKeyUMPFGRGEHJMUQE-ZJUUUORDSA-N
XLogP1.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane (CID 69423989) is (1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane is c1cncc(N2C[C@H]3C[C@@H]2CCN3)c1.
What is the InChIKey of (1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane?
The InChIKey is UMPFGRGEHJMUQE-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-11(7-12-4-1)14-8-9-6-10(14)3-5-13-9/h1-2,4,7,9-10,13H,3,5-6,8H2/t9-,10+/m1/s1.
What are the key properties of (1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane?
(1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane has a molecular weight of 189.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 69423989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).