(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

C13H19N3 — CID 71463348

IUPAC(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESN[C@@H]1C2CCN(CC2)C1Cc1cccnc1
InChIInChI=1S/C13H19N3/c14-13-11-3-6-16(7-4-11)12(13)8-10-2-1-5-15-9-10/h1-2,5,9,11-13H,3-4,6-8,14H2/t12?,13-/m1/s1
InChIKeyZUCBDKDJRQVFNO-ZGTCLIOFSA-N
MW217.32 g/mol
LogP1.05
Rot. Bonds2

About (3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 71463348) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID71463348
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESN[C@@H]1C2CCN(CC2)C1Cc1cccnc1
InChIInChI=1S/C13H19N3/c14-13-11-3-6-16(7-4-11)12(13)8-10-2-1-5-15-9-10/h1-2,5,9,11-13H,3-4,6-8,14H2/t12?,13-/m1/s1
InChIKeyZUCBDKDJRQVFNO-ZGTCLIOFSA-N
XLogP1.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 71463348) is (3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is N[C@@H]1C2CCN(CC2)C1Cc1cccnc1.
What is the InChIKey of (3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is ZUCBDKDJRQVFNO-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H19N3/c14-13-11-3-6-16(7-4-11)12(13)8-10-2-1-5-15-9-10/h1-2,5,9,11-13H,3-4,6-8,14H2/t12?,13-/m1/s1.
What are the key properties of (3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 217.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 71463348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).