2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

C20H44ClN9 — CID 45261600

About 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 45261600) has the molecular formula C20H44ClN9 and a molecular weight of 446.09 g/mol. Its IUPAC name is 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

• Compound Name: 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
• PubChem CID: 45261600
• Molecular Formula: C20H44ClN9
• Molecular Weight: 446.09 g/mol
• Exact Mass: 445.34
• IUPAC Name: 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
• SMILES: CNc1nc(NC)nc(NCCCNCCCCCCCCCNCCCN)n1.Cl
• InChI: InChI=1S/C20H43N9.ClH/c1-22-18-27-19(23-2)29-20(28-18)26-17-11-16-25-14-9-7-5-3-4-6-8-13-24-15-10-12-21;/h24-25H,3-17,21H2,1-2H3,(H3,22,23,26,27,28,29);1H
• InChIKey: YABSLXWWAYOPGA-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 124.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.09
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

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-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The IUPAC name of 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 45261600) is 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

What is the SMILES notation for 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The canonical SMILES for 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is CNc1nc(NC)nc(NCCCNCCCCCCCCCNCCCN)n1.Cl.

What is the InChIKey of 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The InChIKey is YABSLXWWAYOPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N9.ClH/c1-22-18-27-19(23-2)29-20(28-18)26-17-11-16-25-14-9-7-5-3-4-6-8-13-24-15-10-12-21;/h24-25H,3-17,21H2,1-2H3,(H3,22,23,26,27,28,29);1H.

What are the key properties of 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 446.09 g/mol, XLogP of 2.44, 20 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 45261600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).