ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol

C8H20N2O3 — CID 174792194

IUPACethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol
SMILESNCCN.OCC1CCC(CO)O1
InChIInChI=1S/C6H12O3.C2H8N2/c7-3-5-1-2-6(4-8)9-5;3-1-2-4/h5-8H,1-4H2;1-4H2
InChIKeyGLSKNYQVIQGUEA-UHFFFAOYSA-N
MW192.26 g/mol
LogP-1.58
Rot. Bonds3

About ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol

ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol (PubChem CID 174792194) has the molecular formula C8H20N2O3 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Nameethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol
PubChem CID174792194
Molecular FormulaC8H20N2O3
Molecular Weight192.26 g/mol
Exact Mass192.15
IUPAC Nameethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol
SMILESNCCN.OCC1CCC(CO)O1
InChIInChI=1S/C6H12O3.C2H8N2/c7-3-5-1-2-6(4-8)9-5;3-1-2-4/h5-8H,1-4H2;1-4H2
InChIKeyGLSKNYQVIQGUEA-UHFFFAOYSA-N
XLogP-1.58
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol?
The IUPAC name of ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol (CID 174792194) is ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol is NCCN.OCC1CCC(CO)O1.
What is the InChIKey of ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol?
The InChIKey is GLSKNYQVIQGUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C2H8N2/c7-3-5-1-2-6(4-8)9-5;3-1-2-4/h5-8H,1-4H2;1-4H2.
What are the key properties of ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol?
ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol has a molecular weight of 192.26 g/mol, XLogP of -1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 174792194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).