ethane-1,1-diamine;tetrahydrochloride

C2H12Cl4N2 — CID 142050640

IUPACethane-1,1-diamine;tetrahydrochloride
SMILESCC(N)N.Cl.Cl.Cl.Cl
InChIInChI=1S/C2H8N2.4ClH/c1-2(3)4;;;;/h2H,3-4H2,1H3;4*1H
InChIKeyGLILURWLJBTTIZ-UHFFFAOYSA-N
MW205.94 g/mol
LogP0.94
Rot. Bonds

About ethane-1,1-diamine;tetrahydrochloride

ethane-1,1-diamine;tetrahydrochloride (PubChem CID 142050640) has the molecular formula C2H12Cl4N2 and a molecular weight of 205.94 g/mol. Its IUPAC name is ethane-1,1-diamine;tetrahydrochloride.

Molecular Properties

Compound Nameethane-1,1-diamine;tetrahydrochloride
PubChem CID142050640
Molecular FormulaC2H12Cl4N2
Molecular Weight205.94 g/mol
Exact Mass203.98
IUPAC Nameethane-1,1-diamine;tetrahydrochloride
SMILESCC(N)N.Cl.Cl.Cl.Cl
InChIInChI=1S/C2H8N2.4ClH/c1-2(3)4;;;;/h2H,3-4H2,1H3;4*1H
InChIKeyGLILURWLJBTTIZ-UHFFFAOYSA-N
XLogP0.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.94
LogP ≤ 50.94
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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Related Compounds

copper;bis(ethane-1,1-diamine)
CID 118678530
alumane;ethane-1,1-diamine
CID 174593574
propan-2-amine;hydrate;hydrochloride
CID 162153809
(2R,3R)-butane-2,3-diamine;dihydrochloride
CID 90474575
(3R)-butane-2,3-diamine
CID 172719520
hydron;propan-2-amine
CID 174699722
ethane-1,1-diamine;ethane-1,2-diol
CID 88638607
bis(2-methylpropane);dihydrochloride
CID 174914375
(2R)-propane-1,1,2-triamine
CID 164890165
beryllium;hydride;propan-2-amine
CID 174791883
potassium;boranuide;propan-2-amine
CID 174884130
(2R)-3-methylbutan-2-amine
CID 6999786

Frequently Asked Questions

What is the IUPAC name of ethane-1,1-diamine;tetrahydrochloride?
The IUPAC name of ethane-1,1-diamine;tetrahydrochloride (CID 142050640) is ethane-1,1-diamine;tetrahydrochloride.
What is the SMILES notation for ethane-1,1-diamine;tetrahydrochloride?
The canonical SMILES for ethane-1,1-diamine;tetrahydrochloride is CC(N)N.Cl.Cl.Cl.Cl.
What is the InChIKey of ethane-1,1-diamine;tetrahydrochloride?
The InChIKey is GLILURWLJBTTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4ClH/c1-2(3)4;;;;/h2H,3-4H2,1H3;4*1H.
What are the key properties of ethane-1,1-diamine;tetrahydrochloride?
ethane-1,1-diamine;tetrahydrochloride has a molecular weight of 205.94 g/mol, XLogP of 0.94, 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;tetrahydrochloride is sourced from PubChem (CID 142050640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).