4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene

C16H19N — CID 15223361

IUPAC4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1CN(Cc3ccccc3)CC21
InChIInChI=1S/C16H19N/c1-2-4-12(5-3-1)9-17-10-15-13-6-7-14(8-13)16(15)11-17/h1-7,13-16H,8-11H2
InChIKeyWDLADEJGVJTTSA-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.94
Rot. Bonds2

About 4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene

4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 15223361) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID15223361
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1CN(Cc3ccccc3)CC21
InChIInChI=1S/C16H19N/c1-2-4-12(5-3-1)9-17-10-15-13-6-7-14(8-13)16(15)11-17/h1-7,13-16H,8-11H2
InChIKeyWDLADEJGVJTTSA-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357
(1S,5S)-3-benzyl-3,6-diazabicyclo[3.1.1]heptane
CID 98061344
2-benzyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole
CID 72622975
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
3-benzyl-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 19963621
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
CID 47003605
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
CID 69032798
(1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 139065758
(3R,4R)-1-benzyl-3,4-bis(chloromethyl)pyrrolidine
CID 98044022
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 15223361) is 4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene is C1=CC2CC1C1CN(Cc3ccccc3)CC21.
What is the InChIKey of 4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is WDLADEJGVJTTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-4-12(5-3-1)9-17-10-15-13-6-7-14(8-13)16(15)11-17/h1-7,13-16H,8-11H2.
What are the key properties of 4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 225.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 15223361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).