5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane

C15H23N3+2 — CID 7304666

IUPAC5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane
SMILESCC12C[NH+]3CC(C)(C[NH+](C1)C3c1ccccn1)C2
InChIInChI=1S/C15H21N3/c1-14-7-15(2)10-17(8-14)13(18(9-14)11-15)12-5-3-4-6-16-12/h3-6,13H,7-11H2,1-2H3/p+2
InChIKeyKNHVIZFGHXGFFK-UHFFFAOYSA-P
MW245.37 g/mol
LogP-0.71
Rot. Bonds1

About 5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane

5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane (PubChem CID 7304666) has the molecular formula C15H23N3+2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane
PubChem CID7304666
Molecular FormulaC15H23N3+2
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane
SMILESCC12C[NH+]3CC(C)(C[NH+](C1)C3c1ccccn1)C2
InChIInChI=1S/C15H21N3/c1-14-7-15(2)10-17(8-14)13(18(9-14)11-15)12-5-3-4-6-16-12/h3-6,13H,7-11H2,1-2H3/p+2
InChIKeyKNHVIZFGHXGFFK-UHFFFAOYSA-P
XLogP-0.71
TPSA21.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane?
The IUPAC name of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane (CID 7304666) is 5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane is CC12C[NH+]3CC(C)(C[NH+](C1)C3c1ccccn1)C2.
What is the InChIKey of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane?
The InChIKey is KNHVIZFGHXGFFK-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H21N3/c1-14-7-15(2)10-17(8-14)13(18(9-14)11-15)12-5-3-4-6-16-12/h3-6,13H,7-11H2,1-2H3/p+2.
What are the key properties of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane?
5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane has a molecular weight of 245.37 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-pyridin-2-yl-1,3-diazoniatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 7304666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).