1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine

C20H26N8O4 — CID 20560532

IUPAC1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine
SMILESC=CCOc1nc(NC(C)Nc2nc(OCC=C)nc(OCC=C)n2)nc(OCC=C)n1
InChIInChI=1S/C20H26N8O4/c1-6-10-29-17-23-15(24-18(27-17)30-11-7-2)21-14(5)22-16-25-19(31-12-8-3)28-20(26-16)32-13-9-4/h6-9,14H,1-4,10-13H2,5H3,(H,21,23,24,27)(H,22,25,26,28)
InChIKeyHGMVVWIAOBEASN-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.19
Rot. Bonds16

About 1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine

1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine (PubChem CID 20560532) has the molecular formula C20H26N8O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine
PubChem CID20560532
Molecular FormulaC20H26N8O4
Molecular Weight442.48 g/mol
Exact Mass442.21
IUPAC Name1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine
SMILESC=CCOc1nc(NC(C)Nc2nc(OCC=C)nc(OCC=C)n2)nc(OCC=C)n1
InChIInChI=1S/C20H26N8O4/c1-6-10-29-17-23-15(24-18(27-17)30-11-7-2)21-14(5)22-16-25-19(31-12-8-3)28-20(26-16)32-13-9-4/h6-9,14H,1-4,10-13H2,5H3,(H,21,23,24,27)(H,22,25,26,28)
InChIKeyHGMVVWIAOBEASN-UHFFFAOYSA-N
XLogP2.19
TPSA138.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine (CID 20560532) is 1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine is C=CCOc1nc(NC(C)Nc2nc(OCC=C)nc(OCC=C)n2)nc(OCC=C)n1.
What is the InChIKey of 1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine?
The InChIKey is HGMVVWIAOBEASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O4/c1-6-10-29-17-23-15(24-18(27-17)30-11-7-2)21-14(5)22-16-25-19(31-12-8-3)28-20(26-16)32-13-9-4/h6-9,14H,1-4,10-13H2,5H3,(H,21,23,24,27)(H,22,25,26,28).
What are the key properties of 1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine?
1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine has a molecular weight of 442.48 g/mol, XLogP of 2.19, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine is sourced from PubChem (CID 20560532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).