8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene

C24H23N — CID 67175391

IUPAC8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccc3ccccc3c2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C24H23N/c1-2-6-18(7-3-1)17-25-23-12-13-24(25)16-22(15-23)21-11-10-19-8-4-5-9-20(19)14-21/h1-11,14-15,23-24H,12-13,16-17H2
InChIKeyNKLYIPKVYWFOEH-UHFFFAOYSA-N
MW325.46 g/mol
LogP5.66
Rot. Bonds3

About 8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene

8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 67175391) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID67175391
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccc3ccccc3c2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C24H23N/c1-2-6-18(7-3-1)17-25-23-12-13-24(25)16-22(15-23)21-11-10-19-8-4-5-9-20(19)14-21/h1-11,14-15,23-24H,12-13,16-17H2
InChIKeyNKLYIPKVYWFOEH-UHFFFAOYSA-N
XLogP5.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
CID 171970824
[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
CID 171972827
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-2-fluorobenzonitrile
CID 171971806
8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171968586
8-benzyl-3-phenanthren-9-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171967825
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
CID 67101284
3-(1-benzothiophen-2-yl)-8-benzyl-8-azabicyclo[3.2.1]oct-2-ene
CID 171972339
8-benzyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971789
8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971011

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene (CID 67175391) is 8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene is C1=C(c2ccc3ccccc3c2)CC2CCC1N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is NKLYIPKVYWFOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N/c1-2-6-18(7-3-1)17-25-23-12-13-24(25)16-22(15-23)21-11-10-19-8-4-5-9-20(19)14-21/h1-11,14-15,23-24H,12-13,16-17H2.
What are the key properties of 8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 325.46 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 67175391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).