2-bicyclo[2.2.2]octanylmethanamine;hydrochloride

C9H18ClN — CID 522081

IUPAC2-bicyclo[2.2.2]octanylmethanamine;hydrochloride
SMILESCl.NCC1CC2CCC1CC2
InChIInChI=1S/C9H17N.ClH/c10-6-9-5-7-1-3-8(9)4-2-7;/h7-9H,1-6,10H2;1H
InChIKeyPEWQLLOHRHFMOT-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.19
Rot. Bonds1

About 2-bicyclo[2.2.2]octanylmethanamine;hydrochloride

2-bicyclo[2.2.2]octanylmethanamine;hydrochloride (PubChem CID 522081) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 2-bicyclo[2.2.2]octanylmethanamine;hydrochloride.

Molecular Properties

Compound Name2-bicyclo[2.2.2]octanylmethanamine;hydrochloride
PubChem CID522081
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name2-bicyclo[2.2.2]octanylmethanamine;hydrochloride
SMILESCl.NCC1CC2CCC1CC2
InChIInChI=1S/C9H17N.ClH/c10-6-9-5-7-1-3-8(9)4-2-7;/h7-9H,1-6,10H2;1H
InChIKeyPEWQLLOHRHFMOT-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.2]octanylmethanamine;hydrochloride?
The IUPAC name of 2-bicyclo[2.2.2]octanylmethanamine;hydrochloride (CID 522081) is 2-bicyclo[2.2.2]octanylmethanamine;hydrochloride.
What is the SMILES notation for 2-bicyclo[2.2.2]octanylmethanamine;hydrochloride?
The canonical SMILES for 2-bicyclo[2.2.2]octanylmethanamine;hydrochloride is Cl.NCC1CC2CCC1CC2.
What is the InChIKey of 2-bicyclo[2.2.2]octanylmethanamine;hydrochloride?
The InChIKey is PEWQLLOHRHFMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c10-6-9-5-7-1-3-8(9)4-2-7;/h7-9H,1-6,10H2;1H.
What are the key properties of 2-bicyclo[2.2.2]octanylmethanamine;hydrochloride?
2-bicyclo[2.2.2]octanylmethanamine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.2]octanylmethanamine;hydrochloride is sourced from PubChem (CID 522081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).