7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride

C6H12ClNO — CID 154704688

IUPAC7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCl.NC1CC2CCC1O2
InChIInChI=1S/C6H11NO.ClH/c7-5-3-4-1-2-6(5)8-4;/h4-6H,1-3,7H2;1H
InChIKeyPWDJLVSMCBXGFN-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.69
Rot. Bonds

About 7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride

7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride (PubChem CID 154704688) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride
PubChem CID154704688
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCl.NC1CC2CCC1O2
InChIInChI=1S/C6H11NO.ClH/c7-5-3-4-1-2-6(5)8-4;/h4-6H,1-3,7H2;1H
InChIKeyPWDJLVSMCBXGFN-UHFFFAOYSA-N
XLogP0.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-oxabicyclo[2.2.1]heptan-2-amine;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 7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride (CID 154704688) is 7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride is Cl.NC1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride?
The InChIKey is PWDJLVSMCBXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c7-5-3-4-1-2-6(5)8-4;/h4-6H,1-3,7H2;1H.
What are the key properties of 7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride?
7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-2-amine;hydrochloride is sourced from PubChem (CID 154704688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).