5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine

C21H25N3 — CID 171971436

IUPAC5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(C2=CC3CCC(C2)N3Cc2ccccc2)cn1
InChIInChI=1S/C21H25N3/c1-23(2)21-11-8-17(14-22-21)18-12-19-9-10-20(13-18)24(19)15-16-6-4-3-5-7-16/h3-8,11-12,14,19-20H,9-10,13,15H2,1-2H3
InChIKeyDFMVAKCFELULKV-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.97
Rot. Bonds4

About 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine

5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine (PubChem CID 171971436) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine
PubChem CID171971436
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(C2=CC3CCC(C2)N3Cc2ccccc2)cn1
InChIInChI=1S/C21H25N3/c1-23(2)21-11-8-17(14-22-21)18-12-19-9-10-20(13-18)24(19)15-16-6-4-3-5-7-16/h3-8,11-12,14,19-20H,9-10,13,15H2,1-2H3
InChIKeyDFMVAKCFELULKV-UHFFFAOYSA-N
XLogP3.97
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine with MolForge

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Related Compounds

5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine
CID 171971381
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
8-benzyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171970136
2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine
CID 171969390
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239
6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
CID 171970824
8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967780
8-benzyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971789
[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
CID 171972827
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 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine (CID 171971436) is 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(C2=CC3CCC(C2)N3Cc2ccccc2)cn1.
What is the InChIKey of 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine?
The InChIKey is DFMVAKCFELULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-23(2)21-11-8-17(14-22-21)18-12-19-9-10-20(13-18)24(19)15-16-6-4-3-5-7-16/h3-8,11-12,14,19-20H,9-10,13,15H2,1-2H3.
What are the key properties of 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine?
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine has a molecular weight of 319.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 171971436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).