2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

C22H32N6O6 — CID 88619599

IUPAC2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCN(OCC=C)c1nc(N(OCC=C)OCC=C)nc(N(OCC=C)OCC=C)n1
InChIInChI=1S/C22H32N6O6/c1-7-13-29-19-26(30-14-8-2)20-23-21(27(31-15-9-3)32-16-10-4)25-22(24-20)28(33-17-11-5)34-18-12-6/h7-12H,1-6,13-19H2
InChIKeyJRWDNDJPXJKQTB-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.04
Rot. Bonds22

About 2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 88619599) has the molecular formula C22H32N6O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID88619599
Molecular FormulaC22H32N6O6
Molecular Weight476.53 g/mol
Exact Mass476.24
IUPAC Name2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCN(OCC=C)c1nc(N(OCC=C)OCC=C)nc(N(OCC=C)OCC=C)n1
InChIInChI=1S/C22H32N6O6/c1-7-13-29-19-26(30-14-8-2)20-23-21(27(31-15-9-3)32-16-10-4)25-22(24-20)28(33-17-11-5)34-18-12-6/h7-12H,1-6,13-19H2
InChIKeyJRWDNDJPXJKQTB-UHFFFAOYSA-N
XLogP3.04
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 88619599) is 2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is C=CCOCN(OCC=C)c1nc(N(OCC=C)OCC=C)nc(N(OCC=C)OCC=C)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JRWDNDJPXJKQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O6/c1-7-13-29-19-26(30-14-8-2)20-23-21(27(31-15-9-3)32-16-10-4)25-22(24-20)28(33-17-11-5)34-18-12-6/h7-12H,1-6,13-19H2.
What are the key properties of 2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 476.53 g/mol, XLogP of 3.04, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 88619599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).