4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride

C11H18ClN — CID 90644907

IUPAC4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride
SMILESC1CC2C3CNCC3C1C1CC21.Cl
InChIInChI=1S/C11H17N.ClH/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10;/h6-12H,1-5H2;1H
InChIKeyQARZFXMGBDLSAF-UHFFFAOYSA-N
MW199.72 g/mol
LogP1.92
Rot. Bonds

About 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride

4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride (PubChem CID 90644907) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride.

Molecular Properties

Compound Name4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride
PubChem CID90644907
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride
SMILESC1CC2C3CNCC3C1C1CC21.Cl
InChIInChI=1S/C11H17N.ClH/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10;/h6-12H,1-5H2;1H
InChIKeyQARZFXMGBDLSAF-UHFFFAOYSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride?
The IUPAC name of 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride (CID 90644907) is 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride.
What is the SMILES notation for 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride?
The canonical SMILES for 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride is C1CC2C3CNCC3C1C1CC21.Cl.
What is the InChIKey of 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride?
The InChIKey is QARZFXMGBDLSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10;/h6-12H,1-5H2;1H.
What are the key properties of 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride?
4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride has a molecular weight of 199.72 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatetracyclo[5.3.2.02,6.08,10]dodecane;hydrochloride is sourced from PubChem (CID 90644907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).