6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

C23H38N6O6 — CID 58418636

IUPAC6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCN(COCC=C)c1nc(N(COC)COC)nc(N(COCC=C)COCC=C)n1
InChIInChI=1S/C23H38N6O6/c1-7-11-32-17-28(18-33-12-8-2)22-24-21(27(15-30-5)16-31-6)25-23(26-22)29(19-34-13-9-3)20-35-14-10-4/h7-10H,1-4,11-20H2,5-6H3
InChIKeyDFUDZDGUICUMSP-UHFFFAOYSA-N
MW494.59 g/mol
LogP2.14
Rot. Bonds23

About 6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 58418636) has the molecular formula C23H38N6O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is 6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID58418636
Molecular FormulaC23H38N6O6
Molecular Weight494.59 g/mol
Exact Mass494.29
IUPAC Name6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCN(COCC=C)c1nc(N(COC)COC)nc(N(COCC=C)COCC=C)n1
InChIInChI=1S/C23H38N6O6/c1-7-11-32-17-28(18-33-12-8-2)22-24-21(27(15-30-5)16-31-6)25-23(26-22)29(19-34-13-9-3)20-35-14-10-4/h7-10H,1-4,11-20H2,5-6H3
InChIKeyDFUDZDGUICUMSP-UHFFFAOYSA-N
XLogP2.14
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 52.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 58418636) is 6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is C=CCOCN(COCC=C)c1nc(N(COC)COC)nc(N(COCC=C)COCC=C)n1.
What is the InChIKey of 6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DFUDZDGUICUMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O6/c1-7-11-32-17-28(18-33-12-8-2)22-24-21(27(15-30-5)16-31-6)25-23(26-22)29(19-34-13-9-3)20-35-14-10-4/h7-10H,1-4,11-20H2,5-6H3.
What are the key properties of 6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 494.59 g/mol, XLogP of 2.14, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58418636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).