ethane-1,1-diamine;ethane-1,2-diol

C4H14N2O2 — CID 88638607

IUPACethane-1,1-diamine;ethane-1,2-diol
SMILESCC(N)N.OCCO
InChIInChI=1S/C2H8N2.C2H6O2/c1-2(3)4;3-1-2-4/h2H,3-4H2,1H3;3-4H,1-2H2
InChIKeyYIIWDXLVGAGFLG-UHFFFAOYSA-N
MW122.17 g/mol
LogP-1.78
Rot. Bonds1

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

ethane-1,1-diamine;ethane-1,2-diol (PubChem CID 88638607) has the molecular formula C4H14N2O2 and a molecular weight of 122.17 g/mol. Its IUPAC name is ethane-1,1-diamine;ethane-1,2-diol.

Molecular Properties

Compound Nameethane-1,1-diamine;ethane-1,2-diol
PubChem CID88638607
Molecular FormulaC4H14N2O2
Molecular Weight122.17 g/mol
Exact Mass122.11
IUPAC Nameethane-1,1-diamine;ethane-1,2-diol
SMILESCC(N)N.OCCO
InChIInChI=1S/C2H8N2.C2H6O2/c1-2(3)4;3-1-2-4/h2H,3-4H2,1H3;3-4H,1-2H2
InChIKeyYIIWDXLVGAGFLG-UHFFFAOYSA-N
XLogP-1.78
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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;ethane-1,2-diol?
The IUPAC name of ethane-1,1-diamine;ethane-1,2-diol (CID 88638607) is ethane-1,1-diamine;ethane-1,2-diol.
What is the SMILES notation for ethane-1,1-diamine;ethane-1,2-diol?
The canonical SMILES for ethane-1,1-diamine;ethane-1,2-diol is CC(N)N.OCCO.
What is the InChIKey of ethane-1,1-diamine;ethane-1,2-diol?
The InChIKey is YIIWDXLVGAGFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.C2H6O2/c1-2(3)4;3-1-2-4/h2H,3-4H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,1-diamine;ethane-1,2-diol?
ethane-1,1-diamine;ethane-1,2-diol has a molecular weight of 122.17 g/mol, XLogP of -1.78, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1-diamine;ethane-1,2-diol is sourced from PubChem (CID 88638607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).