azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane

C25H34N2O4 — CID 87240097

IUPACazane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
SMILESN.N.c1cc(Cc2cccc(CC3CO3)c2CC2CO2)c(CC2CO2)c(CC2CO2)c1
InChIInChI=1S/C25H28O4.2H3N/c1-3-16(24(10-22-14-28-22)18(5-1)8-20-12-26-20)7-17-4-2-6-19(9-21-13-27-21)25(17)11-23-15-29-23;;/h1-6,20-23H,7-15H2;2*1H3
InChIKeyMKUDPAVCWAZQTH-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.37
Rot. Bonds10

About azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane

azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane (PubChem CID 87240097) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane.

Molecular Properties

Compound Nameazane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
PubChem CID87240097
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Nameazane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
SMILESN.N.c1cc(Cc2cccc(CC3CO3)c2CC2CO2)c(CC2CO2)c(CC2CO2)c1
InChIInChI=1S/C25H28O4.2H3N/c1-3-16(24(10-22-14-28-22)18(5-1)8-20-12-26-20)7-17-4-2-6-19(9-21-13-27-21)25(17)11-23-15-29-23;;/h1-6,20-23H,7-15H2;2*1H3
InChIKeyMKUDPAVCWAZQTH-UHFFFAOYSA-N
XLogP3.37
TPSA120.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
The IUPAC name of azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane (CID 87240097) is azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane.
What is the SMILES notation for azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
The canonical SMILES for azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane is N.N.c1cc(Cc2cccc(CC3CO3)c2CC2CO2)c(CC2CO2)c(CC2CO2)c1.
What is the InChIKey of azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
The InChIKey is MKUDPAVCWAZQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4.2H3N/c1-3-16(24(10-22-14-28-22)18(5-1)8-20-12-26-20)7-17-4-2-6-19(9-21-13-27-21)25(17)11-23-15-29-23;;/h1-6,20-23H,7-15H2;2*1H3.
What are the key properties of azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane has a molecular weight of 426.56 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane is sourced from PubChem (CID 87240097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).