azane;hexahydrochloride

H159Cl6N51 — CID 173439314

IUPACazane;hexahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N
InChIInChI=1S/6ClH.51H3N/h6*1H;51*1H3
InChIKeyJMNLIEIPDQWJBH-UHFFFAOYSA-N
MW1087.35 g/mol
LogP10.79
Rot. Bonds

About azane;hexahydrochloride

azane;hexahydrochloride (PubChem CID 173439314) has the molecular formula H159Cl6N51 and a molecular weight of 1087.35 g/mol. Its IUPAC name is azane;hexahydrochloride.

Molecular Properties

Compound Nameazane;hexahydrochloride
PubChem CID173439314
Molecular FormulaH159Cl6N51
Molecular Weight1087.35 g/mol
Exact Mass1084.21
IUPAC Nameazane;hexahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N
InChIInChI=1S/6ClH.51H3N/h6*1H;51*1H3
InChIKeyJMNLIEIPDQWJBH-UHFFFAOYSA-N
XLogP10.79
TPSA1785.00 Ų
H-Bond Donors51
H-Bond Acceptors51
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001087.35
LogP ≤ 510.79
H-Bond Donors ≤ 551
H-Bond Acceptors ≤ 1051

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Frequently Asked Questions

What is the IUPAC name of azane;hexahydrochloride?
The IUPAC name of azane;hexahydrochloride (CID 173439314) is azane;hexahydrochloride.
What is the SMILES notation for azane;hexahydrochloride?
The canonical SMILES for azane;hexahydrochloride is Cl.Cl.Cl.Cl.Cl.Cl.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.
What is the InChIKey of azane;hexahydrochloride?
The InChIKey is JMNLIEIPDQWJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/6ClH.51H3N/h6*1H;51*1H3.
What are the key properties of azane;hexahydrochloride?
azane;hexahydrochloride has a molecular weight of 1087.35 g/mol, XLogP of 10.79, 0 rotatable bonds, 51 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexahydrochloride is sourced from PubChem (CID 173439314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).