5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine

C21H26N4 — CID 171971381

IUPAC5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(C2=CC3CCCC(C2)N3Cc2ccccc2)cn1
InChIInChI=1S/C21H26N4/c1-24(2)21-22-13-18(14-23-21)17-11-19-9-6-10-20(12-17)25(19)15-16-7-4-3-5-8-16/h3-5,7-8,11,13-14,19-20H,6,9-10,12,15H2,1-2H3
InChIKeyKFTKYSYMEUDZRS-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.75
Rot. Bonds4

About 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine

5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 171971381) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine
PubChem CID171971381
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(C2=CC3CCCC(C2)N3Cc2ccccc2)cn1
InChIInChI=1S/C21H26N4/c1-24(2)21-22-13-18(14-23-21)17-11-19-9-6-10-20(12-17)25(19)15-16-7-4-3-5-8-16/h3-5,7-8,11,13-14,19-20H,6,9-10,12,15H2,1-2H3
InChIKeyKFTKYSYMEUDZRS-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine
CID 171971436
8-benzyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171970136
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-1,3-benzoxazole
CID 171970818
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171968666
9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171973036
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971649
1-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]ethanone
CID 171971045
[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol
CID 171971550
9-benzyl-3-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971041
4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide
CID 171971254
9H-fluoren-9-ylmethyl 3-[2-(dimethylamino)pyrimidin-5-yl]-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171966247
9-benzyl-3-(2-fluoro-6-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971644

Frequently Asked Questions

What is the IUPAC name of 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine (CID 171971381) is 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(C2=CC3CCCC(C2)N3Cc2ccccc2)cn1.
What is the InChIKey of 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is KFTKYSYMEUDZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-24(2)21-22-13-18(14-23-21)17-11-19-9-6-10-20(12-17)25(19)15-16-7-4-3-5-8-16/h3-5,7-8,11,13-14,19-20H,6,9-10,12,15H2,1-2H3.
What are the key properties of 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine?
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 334.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 171971381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).