ethane;ethane-1,2-diamine;dihydrochloride

C4H16Cl2N2 — CID 168908211

IUPACethane;ethane-1,2-diamine;dihydrochloride
SMILESCC.Cl.Cl.NCCN
InChIInChI=1S/C2H8N2.C2H6.2ClH/c3-1-2-4;1-2;;/h1-4H2;1-2H3;2*1H
InChIKeyOFVLSIWXDAETMI-UHFFFAOYSA-N
MW163.09 g/mol
LogP0.77
Rot. Bonds1

About ethane;ethane-1,2-diamine;dihydrochloride

ethane;ethane-1,2-diamine;dihydrochloride (PubChem CID 168908211) has the molecular formula C4H16Cl2N2 and a molecular weight of 163.09 g/mol. Its IUPAC name is ethane;ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Nameethane;ethane-1,2-diamine;dihydrochloride
PubChem CID168908211
Molecular FormulaC4H16Cl2N2
Molecular Weight163.09 g/mol
Exact Mass162.07
IUPAC Nameethane;ethane-1,2-diamine;dihydrochloride
SMILESCC.Cl.Cl.NCCN
InChIInChI=1S/C2H8N2.C2H6.2ClH/c3-1-2-4;1-2;;/h1-4H2;1-2H3;2*1H
InChIKeyOFVLSIWXDAETMI-UHFFFAOYSA-N
XLogP0.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.09
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;ethane-1,2-diamine;dihydrochloride?
The IUPAC name of ethane;ethane-1,2-diamine;dihydrochloride (CID 168908211) is ethane;ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for ethane;ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for ethane;ethane-1,2-diamine;dihydrochloride is CC.Cl.Cl.NCCN.
What is the InChIKey of ethane;ethane-1,2-diamine;dihydrochloride?
The InChIKey is OFVLSIWXDAETMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.C2H6.2ClH/c3-1-2-4;1-2;;/h1-4H2;1-2H3;2*1H.
What are the key properties of ethane;ethane-1,2-diamine;dihydrochloride?
ethane;ethane-1,2-diamine;dihydrochloride has a molecular weight of 163.09 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 168908211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).