2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride

C7H15ClN2 — CID 12778913

IUPAC2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
SMILESCl.N/C1=N/CCCCCC1
InChIInChI=1S/C7H14N2.ClH/c8-7-5-3-1-2-4-6-9-7;/h1-6H2,(H2,8,9);1H
InChIKeyCWTIVFILXRIYNE-UHFFFAOYSA-N
MW162.66 g/mol
LogP1.73
Rot. Bonds

About 2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride

2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride (PubChem CID 12778913) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
PubChem CID12778913
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
SMILESCl.N/C1=N/CCCCCC1
InChIInChI=1S/C7H14N2.ClH/c8-7-5-3-1-2-4-6-9-7;/h1-6H2,(H2,8,9);1H
InChIKeyCWTIVFILXRIYNE-UHFFFAOYSA-N
XLogP1.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride?
The IUPAC name of 2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride (CID 12778913) is 2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride.
What is the SMILES notation for 2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride?
The canonical SMILES for 2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride is Cl.N/C1=N/CCCCCC1.
What is the InChIKey of 2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride?
The InChIKey is CWTIVFILXRIYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c8-7-5-3-1-2-4-6-9-7;/h1-6H2,(H2,8,9);1H.
What are the key properties of 2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride?
2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride is sourced from PubChem (CID 12778913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).