4-azatricyclo[5.2.2.02,6]undecane;hydrochloride

C10H18ClN — CID 122156690

IUPAC4-azatricyclo[5.2.2.02,6]undecane;hydrochloride
SMILESC1CC2CCC1C1CNCC21.Cl
InChIInChI=1S/C10H17N.ClH/c1-2-8-4-3-7(1)9-5-11-6-10(8)9;/h7-11H,1-6H2;1H
InChIKeyWOTCSHZVGJMSRR-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.06
Rot. Bonds

About 4-azatricyclo[5.2.2.02,6]undecane;hydrochloride

4-azatricyclo[5.2.2.02,6]undecane;hydrochloride (PubChem CID 122156690) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 4-azatricyclo[5.2.2.02,6]undecane;hydrochloride.

Molecular Properties

Compound Name4-azatricyclo[5.2.2.02,6]undecane;hydrochloride
PubChem CID122156690
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name4-azatricyclo[5.2.2.02,6]undecane;hydrochloride
SMILESC1CC2CCC1C1CNCC21.Cl
InChIInChI=1S/C10H17N.ClH/c1-2-8-4-3-7(1)9-5-11-6-10(8)9;/h7-11H,1-6H2;1H
InChIKeyWOTCSHZVGJMSRR-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.2.2.02,6]undecane;hydrochloride?
The IUPAC name of 4-azatricyclo[5.2.2.02,6]undecane;hydrochloride (CID 122156690) is 4-azatricyclo[5.2.2.02,6]undecane;hydrochloride.
What is the SMILES notation for 4-azatricyclo[5.2.2.02,6]undecane;hydrochloride?
The canonical SMILES for 4-azatricyclo[5.2.2.02,6]undecane;hydrochloride is C1CC2CCC1C1CNCC21.Cl.
What is the InChIKey of 4-azatricyclo[5.2.2.02,6]undecane;hydrochloride?
The InChIKey is WOTCSHZVGJMSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.ClH/c1-2-8-4-3-7(1)9-5-11-6-10(8)9;/h7-11H,1-6H2;1H.
What are the key properties of 4-azatricyclo[5.2.2.02,6]undecane;hydrochloride?
4-azatricyclo[5.2.2.02,6]undecane;hydrochloride has a molecular weight of 187.71 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.2.2.02,6]undecane;hydrochloride is sourced from PubChem (CID 122156690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).