3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline

C15H19NO4 — CID 3018173

IUPAC3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
SMILESc1cc(OCC2CO2)cc(N(CC2CO2)CC2CO2)c1
InChIInChI=1S/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2
InChIKeyVAGOJLCWTUPBKD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.07
Rot. Bonds8

About 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline

3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline (PubChem CID 3018173) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
PubChem CID3018173
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
SMILESc1cc(OCC2CO2)cc(N(CC2CO2)CC2CO2)c1
InChIInChI=1S/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2
InChIKeyVAGOJLCWTUPBKD-UHFFFAOYSA-N
XLogP1.07
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
The IUPAC name of 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline (CID 3018173) is 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline.
What is the SMILES notation for 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
The canonical SMILES for 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline is c1cc(OCC2CO2)cc(N(CC2CO2)CC2CO2)c1.
What is the InChIKey of 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
The InChIKey is VAGOJLCWTUPBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2.
What are the key properties of 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline has a molecular weight of 277.32 g/mol, XLogP of 1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline is sourced from PubChem (CID 3018173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).