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

C24H49ClN14 — CID 45261655

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

2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 45261655) has the molecular formula C24H49ClN14 and a molecular weight of 569.21 g/mol. Its IUPAC name is 2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

• Compound Name: 2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride
• PubChem CID: 45261655
• Molecular Formula: C24H49ClN14
• Molecular Weight: 569.21 g/mol
• Exact Mass: 568.40
• IUPAC Name: 2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride
• SMILES: Cl.Nc1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(N)n2)n1
• InChI: InChI=1S/C24H48N14.ClH/c25-19-33-20(26)36-23(35-19)31-17-11-15-29-13-9-7-5-3-1-2-4-6-8-10-14-30-16-12-18-32-24-37-21(27)34-22(28)38-24;/h29-30H,1-18H2,(H5,25,26,31,33,35,36)(H5,27,28,32,34,37,38);1H
• InChIKey: YADCJMUZBVQZQW-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 229.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	569.21
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	8
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 2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The IUPAC name of 2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 45261655) is 2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride.

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

The canonical SMILES for 2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride is Cl.Nc1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(N)n2)n1.

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

The InChIKey is YADCJMUZBVQZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N14.ClH/c25-19-33-20(26)36-23(35-19)31-17-11-15-29-13-9-7-5-3-1-2-4-6-8-10-14-30-16-12-18-32-24-37-21(27)34-22(28)38-24;/h29-30H,1-18H2,(H5,25,26,31,33,35,36)(H5,27,28,32,34,37,38);1H.

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

2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 569.21 g/mol, XLogP of 2.19, 23 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 45261655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).