bis(2-aminoethyl) carbonate

C5H12N2O3 — CID 55290552

IUPACbis(2-aminoethyl) carbonate
SMILESNCCOC(=O)OCCN
InChIInChI=1S/C5H12N2O3/c6-1-3-9-5(8)10-4-2-7/h1-4,6-7H2
InChIKeyXKEHTRQOBDVCAI-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.94
Rot. Bonds4

About bis(2-aminoethyl) carbonate

bis(2-aminoethyl) carbonate (PubChem CID 55290552) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is bis(2-aminoethyl) carbonate.

Molecular Properties

Compound Namebis(2-aminoethyl) carbonate
PubChem CID55290552
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Namebis(2-aminoethyl) carbonate
SMILESNCCOC(=O)OCCN
InChIInChI=1S/C5H12N2O3/c6-1-3-9-5(8)10-4-2-7/h1-4,6-7H2
InChIKeyXKEHTRQOBDVCAI-UHFFFAOYSA-N
XLogP-0.94
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethyl) carbonate?
The IUPAC name of bis(2-aminoethyl) carbonate (CID 55290552) is bis(2-aminoethyl) carbonate.
What is the SMILES notation for bis(2-aminoethyl) carbonate?
The canonical SMILES for bis(2-aminoethyl) carbonate is NCCOC(=O)OCCN.
What is the InChIKey of bis(2-aminoethyl) carbonate?
The InChIKey is XKEHTRQOBDVCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c6-1-3-9-5(8)10-4-2-7/h1-4,6-7H2.
What are the key properties of bis(2-aminoethyl) carbonate?
bis(2-aminoethyl) carbonate has a molecular weight of 148.16 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethyl) carbonate is sourced from PubChem (CID 55290552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).