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

C28H57ClN14 — CID 45261605

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

4-N-[3-[12-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 45261605) has the molecular formula C28H57ClN14 and a molecular weight of 625.32 g/mol. Its IUPAC name is 4-N-[3-[12-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

• Compound Name: 4-N-[3-[12-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
• PubChem CID: 45261605
• Molecular Formula: C28H57ClN14
• Molecular Weight: 625.32 g/mol
• Exact Mass: 624.46
• IUPAC Name: 4-N-[3-[12-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
• SMILES: CN(C)c1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(N(C)C)n2)n1.Cl
• InChI: InChI=1S/C28H56N14.ClH/c1-41(2)27-37-23(29)35-25(39-27)33-21-15-19-31-17-13-11-9-7-5-6-8-10-12-14-18-32-20-16-22-34-26-36-24(30)38-28(40-26)42(3)4;/h31-32H,5-22H2,1-4H3,(H3,29,33,35,37,39)(H3,30,34,36,38,40);1H
• InChIKey: LUOBHUHAQOHCDN-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 183.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	625.32
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	6
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 4-N-[3-[12-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?

The IUPAC name of 4-N-[3-[12-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 45261605) is 4-N-[3-[12-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

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

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

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

The InChIKey is LUOBHUHAQOHCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N14.ClH/c1-41(2)27-37-23(29)35-25(39-27)33-21-15-19-31-17-13-11-9-7-5-6-8-10-12-14-18-32-20-16-22-34-26-36-24(30)38-28(40-26)42(3)4;/h31-32H,5-22H2,1-4H3,(H3,29,33,35,37,39)(H3,30,34,36,38,40);1H.

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

4-N-[3-[12-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 625.32 g/mol, XLogP of 3.16, 25 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[3-[12-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 45261605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).