ethane-1,2-diol;N-methylethenamine

C5H13NO2 — CID 88730727

IUPACethane-1,2-diol;N-methylethenamine
SMILESC=CNC.OCCO
InChIInChI=1S/C3H7N.C2H6O2/c1-3-4-2;3-1-2-4/h3-4H,1H2,2H3;3-4H,1-2H2
InChIKeyOJVNOBWQWBCMIG-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.68
Rot. Bonds2

About ethane-1,2-diol;N-methylethenamine

ethane-1,2-diol;N-methylethenamine (PubChem CID 88730727) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is ethane-1,2-diol;N-methylethenamine.

Molecular Properties

Compound Nameethane-1,2-diol;N-methylethenamine
PubChem CID88730727
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Nameethane-1,2-diol;N-methylethenamine
SMILESC=CNC.OCCO
InChIInChI=1S/C3H7N.C2H6O2/c1-3-4-2;3-1-2-4/h3-4H,1H2,2H3;3-4H,1-2H2
InChIKeyOJVNOBWQWBCMIG-UHFFFAOYSA-N
XLogP-0.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;N-methylethenamine?
The IUPAC name of ethane-1,2-diol;N-methylethenamine (CID 88730727) is ethane-1,2-diol;N-methylethenamine.
What is the SMILES notation for ethane-1,2-diol;N-methylethenamine?
The canonical SMILES for ethane-1,2-diol;N-methylethenamine is C=CNC.OCCO.
What is the InChIKey of ethane-1,2-diol;N-methylethenamine?
The InChIKey is OJVNOBWQWBCMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.C2H6O2/c1-3-4-2;3-1-2-4/h3-4H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;N-methylethenamine?
ethane-1,2-diol;N-methylethenamine has a molecular weight of 119.16 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;N-methylethenamine is sourced from PubChem (CID 88730727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).