8-azabicyclo[3.2.1]octane;hydron

C7H14N+ — CID 68548681

IUPAC8-azabicyclo[3.2.1]octane;hydron
SMILESC1CC2CCC(C1)N2.[H+]
InChIInChI=1S/C7H13N/c1-2-6-4-5-7(3-1)8-6/h6-8H,1-5H2/p+1
InChIKeyDGGKXQQCVPAUEA-UHFFFAOYSA-O
MW112.20 g/mol
LogP1.40
Rot. Bonds

About 8-azabicyclo[3.2.1]octane;hydron

8-azabicyclo[3.2.1]octane;hydron (PubChem CID 68548681) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octane;hydron.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octane;hydron
PubChem CID68548681
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Name8-azabicyclo[3.2.1]octane;hydron
SMILESC1CC2CCC(C1)N2.[H+]
InChIInChI=1S/C7H13N/c1-2-6-4-5-7(3-1)8-6/h6-8H,1-5H2/p+1
InChIKeyDGGKXQQCVPAUEA-UHFFFAOYSA-O
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octane;hydron?
The IUPAC name of 8-azabicyclo[3.2.1]octane;hydron (CID 68548681) is 8-azabicyclo[3.2.1]octane;hydron.
What is the SMILES notation for 8-azabicyclo[3.2.1]octane;hydron?
The canonical SMILES for 8-azabicyclo[3.2.1]octane;hydron is C1CC2CCC(C1)N2.[H+].
What is the InChIKey of 8-azabicyclo[3.2.1]octane;hydron?
The InChIKey is DGGKXQQCVPAUEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N/c1-2-6-4-5-7(3-1)8-6/h6-8H,1-5H2/p+1.
What are the key properties of 8-azabicyclo[3.2.1]octane;hydron?
8-azabicyclo[3.2.1]octane;hydron has a molecular weight of 112.20 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octane;hydron is sourced from PubChem (CID 68548681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).