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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol

C54H90N12O13 — CID 159805565

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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol

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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol (PubChem CID 159805565) has the molecular formula C54H90N12O13 and a molecular weight of 1115.38 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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol.

Molecular Properties

• Compound Name: 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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol
• PubChem CID: 159805565
• Molecular Formula: C54H90N12O13
• Molecular Weight: 1115.38 g/mol
• Exact Mass: 1114.68
• IUPAC Name: 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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol
• SMILES: C.C=CCO.C=CCOCN(COCC=C)c1nc(N(COC)COC)nc(N(COCC=C)COCC=C)n1.C=CCOCN(COCC=C)c1nc(N(COCC=C)COCC=C)nc(N(COCC=C)COCC=C)n1
• InChI: InChI=1S/C27H42N6O6.C23H38N6O6.C3H6O.CH4/c1-7-13-34-19-31(20-35-14-8-2)25-28-26(32(21-36-15-9-3)22-37-16-10-4)30-27(29-25)33(23-38-17-11-5)24-39-18-12-6;1-7-11-32-17-28(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;1-2-3-4;/h7-12H,1-6,13-24H2;7-10H,1-4,11-20H2,5-6H3;2,4H,1,3H2;1H4
• InChIKey: NKIOSYOBUIBYSD-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 227.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 51
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.38
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

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'}

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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol?

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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol (CID 159805565) 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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol.

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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol?

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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol is C.C=CCO.C=CCOCN(COCC=C)c1nc(N(COC)COC)nc(N(COCC=C)COCC=C)n1.C=CCOCN(COCC=C)c1nc(N(COCC=C)COCC=C)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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol?

The InChIKey is NKIOSYOBUIBYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N6O6.C23H38N6O6.C3H6O.CH4/c1-7-13-34-19-31(20-35-14-8-2)25-28-26(32(21-36-15-9-3)22-37-16-10-4)30-27(29-25)33(23-38-17-11-5)24-39-18-12-6;1-7-11-32-17-28(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;1-2-3-4;/h7-12H,1-6,13-24H2;7-10H,1-4,11-20H2,5-6H3;2,4H,1,3H2;1H4.

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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol?

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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol has a molecular weight of 1115.38 g/mol, XLogP of 6.19, 51 rotatable bonds, 1 hydrogen bond donors, and 25 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;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;methane;prop-2-en-1-ol is sourced from PubChem (CID 159805565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).