ethane-1,2-diamine;tetrakis(propane-1,2-diol)

C14H40N2O8 — CID 19100522

IUPACethane-1,2-diamine;tetrakis(propane-1,2-diol)
SMILESCC(O)CO.CC(O)CO.CC(O)CO.CC(O)CO.NCCN
InChIInChI=1S/4C3H8O2.C2H8N2/c4*1-3(5)2-4;3-1-2-4/h4*3-5H,2H2,1H3;1-4H2
InChIKeyOJNMZYPLMWCJMD-UHFFFAOYSA-N
MW364.48 g/mol
LogP-3.66
Rot. Bonds5

About ethane-1,2-diamine;tetrakis(propane-1,2-diol)

ethane-1,2-diamine;tetrakis(propane-1,2-diol) (PubChem CID 19100522) has the molecular formula C14H40N2O8 and a molecular weight of 364.48 g/mol. Its IUPAC name is ethane-1,2-diamine;tetrakis(propane-1,2-diol).

Molecular Properties

Compound Nameethane-1,2-diamine;tetrakis(propane-1,2-diol)
PubChem CID19100522
Molecular FormulaC14H40N2O8
Molecular Weight364.48 g/mol
Exact Mass364.28
IUPAC Nameethane-1,2-diamine;tetrakis(propane-1,2-diol)
SMILESCC(O)CO.CC(O)CO.CC(O)CO.CC(O)CO.NCCN
InChIInChI=1S/4C3H8O2.C2H8N2/c4*1-3(5)2-4;3-1-2-4/h4*3-5H,2H2,1H3;1-4H2
InChIKeyOJNMZYPLMWCJMD-UHFFFAOYSA-N
XLogP-3.66
TPSA213.88 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.48
LogP ≤ 5-3.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 88781577
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CID 174777178
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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;tetrakis(propane-1,2-diol)?
The IUPAC name of ethane-1,2-diamine;tetrakis(propane-1,2-diol) (CID 19100522) is ethane-1,2-diamine;tetrakis(propane-1,2-diol).
What is the SMILES notation for ethane-1,2-diamine;tetrakis(propane-1,2-diol)?
The canonical SMILES for ethane-1,2-diamine;tetrakis(propane-1,2-diol) is CC(O)CO.CC(O)CO.CC(O)CO.CC(O)CO.NCCN.
What is the InChIKey of ethane-1,2-diamine;tetrakis(propane-1,2-diol)?
The InChIKey is OJNMZYPLMWCJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H8O2.C2H8N2/c4*1-3(5)2-4;3-1-2-4/h4*3-5H,2H2,1H3;1-4H2.
What are the key properties of ethane-1,2-diamine;tetrakis(propane-1,2-diol)?
ethane-1,2-diamine;tetrakis(propane-1,2-diol) has a molecular weight of 364.48 g/mol, XLogP of -3.66, 5 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;tetrakis(propane-1,2-diol) is sourced from PubChem (CID 19100522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).