ethane-1,1-diamine;dihydrochloride

C2H10Cl2N2 — CID 22160866

IUPACethane-1,1-diamine;dihydrochloride
SMILESCC(N)N.Cl.Cl
InChIInChI=1S/C2H8N2.2ClH/c1-2(3)4;;/h2H,3-4H2,1H3;2*1H
InChIKeyHNKBUDJOMYPIAV-UHFFFAOYSA-N
MW133.02 g/mol
LogP0.09
Rot. Bonds

About ethane-1,1-diamine;dihydrochloride

ethane-1,1-diamine;dihydrochloride (PubChem CID 22160866) has the molecular formula C2H10Cl2N2 and a molecular weight of 133.02 g/mol. Its IUPAC name is ethane-1,1-diamine;dihydrochloride.

Molecular Properties

Compound Nameethane-1,1-diamine;dihydrochloride
PubChem CID22160866
Molecular FormulaC2H10Cl2N2
Molecular Weight133.02 g/mol
Exact Mass132.02
IUPAC Nameethane-1,1-diamine;dihydrochloride
SMILESCC(N)N.Cl.Cl
InChIInChI=1S/C2H8N2.2ClH/c1-2(3)4;;/h2H,3-4H2,1H3;2*1H
InChIKeyHNKBUDJOMYPIAV-UHFFFAOYSA-N
XLogP0.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.02
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,1-diamine;dihydrochloride?
The IUPAC name of ethane-1,1-diamine;dihydrochloride (CID 22160866) is ethane-1,1-diamine;dihydrochloride.
What is the SMILES notation for ethane-1,1-diamine;dihydrochloride?
The canonical SMILES for ethane-1,1-diamine;dihydrochloride is CC(N)N.Cl.Cl.
What is the InChIKey of ethane-1,1-diamine;dihydrochloride?
The InChIKey is HNKBUDJOMYPIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.2ClH/c1-2(3)4;;/h2H,3-4H2,1H3;2*1H.
What are the key properties of ethane-1,1-diamine;dihydrochloride?
ethane-1,1-diamine;dihydrochloride has a molecular weight of 133.02 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1-diamine;dihydrochloride is sourced from PubChem (CID 22160866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).