2-bicyclo[2.2.1]heptanylazanium

C7H14N+ — CID 23000620

IUPAC2-bicyclo[2.2.1]heptanylazanium
SMILES[NH3+]C1CC2CCC1C2
InChIInChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2/p+1
InChIKeyJEPPYVOSGKWVSJ-UHFFFAOYSA-O
MW112.20 g/mol
LogP0.42
Rot. Bonds

About 2-bicyclo[2.2.1]heptanylazanium

2-bicyclo[2.2.1]heptanylazanium (PubChem CID 23000620) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylazanium.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanylazanium
PubChem CID23000620
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Name2-bicyclo[2.2.1]heptanylazanium
SMILES[NH3+]C1CC2CCC1C2
InChIInChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2/p+1
InChIKeyJEPPYVOSGKWVSJ-UHFFFAOYSA-O
XLogP0.42
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanylazanium?
The IUPAC name of 2-bicyclo[2.2.1]heptanylazanium (CID 23000620) is 2-bicyclo[2.2.1]heptanylazanium.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylazanium?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylazanium is [NH3+]C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanylazanium?
The InChIKey is JEPPYVOSGKWVSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2/p+1.
What are the key properties of 2-bicyclo[2.2.1]heptanylazanium?
2-bicyclo[2.2.1]heptanylazanium has a molecular weight of 112.20 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanylazanium is sourced from PubChem (CID 23000620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).