7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane

C13H18N2 — CID 21094254

IUPAC7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane
SMILESc1cncc(C2CC3CCCN2CC3)c1
InChIInChI=1S/C13H18N2/c1-4-12(10-14-6-1)13-9-11-3-2-7-15(13)8-5-11/h1,4,6,10-11,13H,2-3,5,7-9H2
InChIKeyBXZMIGKZXVFLGL-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.63
Rot. Bonds1

About 7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane

7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane (PubChem CID 21094254) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane
PubChem CID21094254
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane
SMILESc1cncc(C2CC3CCCN2CC3)c1
InChIInChI=1S/C13H18N2/c1-4-12(10-14-6-1)13-9-11-3-2-7-15(13)8-5-11/h1,4,6,10-11,13H,2-3,5,7-9H2
InChIKeyBXZMIGKZXVFLGL-UHFFFAOYSA-N
XLogP2.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(1-methylpyrrolidin-2-yl)pyridine;propane
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N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807
copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
CID 21152440
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
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furan;3-(1-methylpyrrolidin-2-yl)pyridine
CID 159944485

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane?
The IUPAC name of 7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane (CID 21094254) is 7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane?
The canonical SMILES for 7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane is c1cncc(C2CC3CCCN2CC3)c1.
What is the InChIKey of 7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane?
The InChIKey is BXZMIGKZXVFLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-12(10-14-6-1)13-9-11-3-2-7-15(13)8-5-11/h1,4,6,10-11,13H,2-3,5,7-9H2.
What are the key properties of 7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane?
7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane has a molecular weight of 202.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 21094254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).