2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium

C13H28N3O5Y- — CID 171850463

IUPAC2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium
SMILESCC(C)(C)OC(=O)NCCOCCOCC[N-]OCCN.[Y]
InChIInChI=1S/C13H28N3O5.Y/c1-13(2,3)21-12(17)15-5-8-18-10-11-19-9-6-16-20-7-4-14;/h4-11,14H2,1-3H3,(H,15,17);/q-1;
InChIKeyVPANKMMGNCBEOX-UHFFFAOYSA-N
MW395.29 g/mol
LogP0.81
Rot. Bonds12

About 2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium

2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium (PubChem CID 171850463) has the molecular formula C13H28N3O5Y- and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium.

Molecular Properties

Compound Name2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium
PubChem CID171850463
Molecular FormulaC13H28N3O5Y-
Molecular Weight395.29 g/mol
Exact Mass395.11
IUPAC Name2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium
SMILESCC(C)(C)OC(=O)NCCOCCOCC[N-]OCCN.[Y]
InChIInChI=1S/C13H28N3O5.Y/c1-13(2,3)21-12(17)15-5-8-18-10-11-19-9-6-16-20-7-4-14;/h4-11,14H2,1-3H3,(H,15,17);/q-1;
InChIKeyVPANKMMGNCBEOX-UHFFFAOYSA-N
XLogP0.81
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium?
The IUPAC name of 2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium (CID 171850463) is 2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium.
What is the SMILES notation for 2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium?
The canonical SMILES for 2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium is CC(C)(C)OC(=O)NCCOCCOCC[N-]OCCN.[Y].
What is the InChIKey of 2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium?
The InChIKey is VPANKMMGNCBEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N3O5.Y/c1-13(2,3)21-12(17)15-5-8-18-10-11-19-9-6-16-20-7-4-14;/h4-11,14H2,1-3H3,(H,15,17);/q-1;.
What are the key properties of 2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium?
2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium has a molecular weight of 395.29 g/mol, XLogP of 0.81, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxy-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]azanide;yttrium is sourced from PubChem (CID 171850463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).