6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

C32H65ClN14 — CID 45261415

About 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 45261415) has the molecular formula C32H65ClN14 and a molecular weight of 681.42 g/mol. Its IUPAC name is 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

• Compound Name: 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
• PubChem CID: 45261415
• Molecular Formula: C32H65ClN14
• Molecular Weight: 681.42 g/mol
• Exact Mass: 680.52
• IUPAC Name: 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
• SMILES: CN(C)c1nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N(C)C)nc(N(C)C)n2)nc(N(C)C)n1.Cl
• InChI: InChI=1S/C32H64N14.ClH/c1-43(2)29-37-27(38-30(41-29)44(3)4)35-25-19-23-33-21-17-15-13-11-9-10-12-14-16-18-22-34-24-20-26-36-28-39-31(45(5)6)42-32(40-28)46(7)8;/h33-34H,9-26H2,1-8H3,(H,35,37,38,41)(H,36,39,40,42);1H
• InChIKey: HDUVJVQGEXPRQF-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 138.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	681.42
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The IUPAC name of 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 45261415) is 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

What is the SMILES notation for 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The canonical SMILES for 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is CN(C)c1nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N(C)C)nc(N(C)C)n2)nc(N(C)C)n1.Cl.

What is the InChIKey of 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The InChIKey is HDUVJVQGEXPRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N14.ClH/c1-43(2)29-37-27(38-30(41-29)44(3)4)35-25-19-23-33-21-17-15-13-11-9-10-12-14-16-18-22-34-24-20-26-36-28-39-31(45(5)6)42-32(40-28)46(7)8;/h33-34H,9-26H2,1-8H3,(H,35,37,38,41)(H,36,39,40,42);1H.

What are the key properties of 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 681.42 g/mol, XLogP of 4.13, 27 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 45261415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).