carbon dioxide;bis(N-ethylethanamine)

C9H22N2O2 — CID 160826902

IUPACcarbon dioxide;bis(N-ethylethanamine)
SMILESCCNCC.CCNCC.O=C=O
InChIInChI=1S/2C4H11N.CO2/c2*1-3-5-4-2;2-1-3/h2*5H,3-4H2,1-2H3;
InChIKeySGHHNMCGJSXDBA-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.65
Rot. Bonds4

About carbon dioxide;bis(N-ethylethanamine)

carbon dioxide;bis(N-ethylethanamine) (PubChem CID 160826902) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is carbon dioxide;bis(N-ethylethanamine).

Molecular Properties

Compound Namecarbon dioxide;bis(N-ethylethanamine)
PubChem CID160826902
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Namecarbon dioxide;bis(N-ethylethanamine)
SMILESCCNCC.CCNCC.O=C=O
InChIInChI=1S/2C4H11N.CO2/c2*1-3-5-4-2;2-1-3/h2*5H,3-4H2,1-2H3;
InChIKeySGHHNMCGJSXDBA-UHFFFAOYSA-N
XLogP0.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;bis(N-ethylethanamine)?
The IUPAC name of carbon dioxide;bis(N-ethylethanamine) (CID 160826902) is carbon dioxide;bis(N-ethylethanamine).
What is the SMILES notation for carbon dioxide;bis(N-ethylethanamine)?
The canonical SMILES for carbon dioxide;bis(N-ethylethanamine) is CCNCC.CCNCC.O=C=O.
What is the InChIKey of carbon dioxide;bis(N-ethylethanamine)?
The InChIKey is SGHHNMCGJSXDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11N.CO2/c2*1-3-5-4-2;2-1-3/h2*5H,3-4H2,1-2H3;.
What are the key properties of carbon dioxide;bis(N-ethylethanamine)?
carbon dioxide;bis(N-ethylethanamine) has a molecular weight of 190.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;bis(N-ethylethanamine) is sourced from PubChem (CID 160826902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).