2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

C23H47ClN14 — CID 45261565

About 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 45261565) has the molecular formula C23H47ClN14 and a molecular weight of 555.18 g/mol. Its IUPAC name is 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

• Compound Name: 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
• PubChem CID: 45261565
• Molecular Formula: C23H47ClN14
• Molecular Weight: 555.18 g/mol
• Exact Mass: 554.38
• IUPAC Name: 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
• SMILES: CNc1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(NC)n2)n1.Cl
• InChI: InChI=1S/C23H46N14.ClH/c1-26-20-32-18(24)34-22(36-20)30-16-10-14-28-12-8-6-4-3-5-7-9-13-29-15-11-17-31-23-35-19(25)33-21(27-2)37-23;/h28-29H,3-17H2,1-2H3,(H4,24,26,30,32,34,36)(H4,25,27,31,33,35,37);1H
• InChIKey: RUHQRFOAQHFVDK-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 201.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	555.18
LogP ≤ 5	1.94
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-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The IUPAC name of 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 45261565) is 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

What is the SMILES notation for 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The canonical SMILES for 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is CNc1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(NC)n2)n1.Cl.

What is the InChIKey of 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The InChIKey is RUHQRFOAQHFVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N14.ClH/c1-26-20-32-18(24)34-22(36-20)30-16-10-14-28-12-8-6-4-3-5-7-9-13-29-15-11-17-31-23-35-19(25)33-21(27-2)37-23;/h28-29H,3-17H2,1-2H3,(H4,24,26,30,32,34,36)(H4,25,27,31,33,35,37);1H.

What are the key properties of 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 555.18 g/mol, XLogP of 1.94, 22 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[3-[9-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 45261565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).