1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride

C8H17ClN2 — CID 21278098

IUPAC1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride
SMILESCl.NC1CCN2CCC1CC2
InChIInChI=1S/C8H16N2.ClH/c9-8-3-6-10-4-1-7(8)2-5-10;/h7-8H,1-6,9H2;1H
InChIKeyVDKSGWYJHPSTEX-UHFFFAOYSA-N
MW176.69 g/mol
LogP0.85
Rot. Bonds

About 1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride

1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride (PubChem CID 21278098) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride
PubChem CID21278098
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride
SMILESCl.NC1CCN2CCC1CC2
InChIInChI=1S/C8H16N2.ClH/c9-8-3-6-10-4-1-7(8)2-5-10;/h7-8H,1-6,9H2;1H
InChIKeyVDKSGWYJHPSTEX-UHFFFAOYSA-N
XLogP0.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride?
The IUPAC name of 1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride (CID 21278098) is 1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride.
What is the SMILES notation for 1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride?
The canonical SMILES for 1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride is Cl.NC1CCN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride?
The InChIKey is VDKSGWYJHPSTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.ClH/c9-8-3-6-10-4-1-7(8)2-5-10;/h7-8H,1-6,9H2;1H.
What are the key properties of 1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride?
1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride has a molecular weight of 176.69 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.2]nonan-4-amine;hydrochloride is sourced from PubChem (CID 21278098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).