9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene

C21H24N2 — CID 171973036

IUPAC9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESCc1cccnc1C1=CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C21H24N2/c1-16-7-6-12-22-21(16)18-13-19-10-5-11-20(14-18)23(19)15-17-8-3-2-4-9-17/h2-4,6-9,12-13,19-20H,5,10-11,14-15H2,1H3
InChIKeyUIPMWEFDRIFQPG-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.60
Rot. Bonds3

About 9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene

9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 171973036) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
PubChem CID171973036
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESCc1cccnc1C1=CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C21H24N2/c1-16-7-6-12-22-21(16)18-13-19-10-5-11-20(14-18)23(19)15-17-8-3-2-4-9-17/h2-4,6-9,12-13,19-20H,5,10-11,14-15H2,1H3
InChIKeyUIPMWEFDRIFQPG-UHFFFAOYSA-N
XLogP4.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-7-(3-methyl-2-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171972981
9-benzyl-3-(2-fluoro-6-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971644
9-benzyl-3-(4-chloro-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971662
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine
CID 171971381
6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline
CID 171968784
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171968666
9-benzyl-3-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971041
9-benzyl-3-(2-chloro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971661
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971649
9-benzyl-3-(4-methoxy-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971039
2-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyridine-4-carbonitrile
CID 171971431
9-benzyl-3-(3,4-difluoro-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971182

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene (CID 171973036) is 9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene is Cc1cccnc1C1=CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is UIPMWEFDRIFQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-16-7-6-12-22-21(16)18-13-19-10-5-11-20(14-18)23(19)15-17-8-3-2-4-9-17/h2-4,6-9,12-13,19-20H,5,10-11,14-15H2,1H3.
What are the key properties of 9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene?
9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 304.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 171973036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).