2-azatricyclo[3.3.1.13,7]decane;hydrochloride

C9H16ClN — CID 75529762

IUPAC2-azatricyclo[3.3.1.13,7]decane;hydrochloride
SMILESC1C2CC3CC1CC(C2)N3.Cl
InChIInChI=1S/C9H15N.ClH/c1-6-2-8-4-7(1)5-9(3-6)10-8;/h6-10H,1-5H2;1H
InChIKeyZWIULPRXCDAQFM-UHFFFAOYSA-N
MW173.69 g/mol
LogP1.96
Rot. Bonds

About 2-azatricyclo[3.3.1.13,7]decane;hydrochloride

2-azatricyclo[3.3.1.13,7]decane;hydrochloride (PubChem CID 75529762) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is 2-azatricyclo[3.3.1.13,7]decane;hydrochloride.

Molecular Properties

Compound Name2-azatricyclo[3.3.1.13,7]decane;hydrochloride
PubChem CID75529762
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name2-azatricyclo[3.3.1.13,7]decane;hydrochloride
SMILESC1C2CC3CC1CC(C2)N3.Cl
InChIInChI=1S/C9H15N.ClH/c1-6-2-8-4-7(1)5-9(3-6)10-8;/h6-10H,1-5H2;1H
InChIKeyZWIULPRXCDAQFM-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-azatricyclo[3.3.1.13,7]decane;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 2-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The IUPAC name of 2-azatricyclo[3.3.1.13,7]decane;hydrochloride (CID 75529762) is 2-azatricyclo[3.3.1.13,7]decane;hydrochloride.
What is the SMILES notation for 2-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The canonical SMILES for 2-azatricyclo[3.3.1.13,7]decane;hydrochloride is C1C2CC3CC1CC(C2)N3.Cl.
What is the InChIKey of 2-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The InChIKey is ZWIULPRXCDAQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.ClH/c1-6-2-8-4-7(1)5-9(3-6)10-8;/h6-10H,1-5H2;1H.
What are the key properties of 2-azatricyclo[3.3.1.13,7]decane;hydrochloride?
2-azatricyclo[3.3.1.13,7]decane;hydrochloride has a molecular weight of 173.69 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[3.3.1.13,7]decane;hydrochloride is sourced from PubChem (CID 75529762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).