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

C25H51ClN14 — CID 45264890

IUPAC4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCN(C)c1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(N(C)C)n2)n1.Cl
InChIInChI=1S/C25H50N14.ClH/c1-38(2)24-34-20(26)32-22(36-24)30-18-12-16-28-14-10-8-6-5-7-9-11-15-29-17-13-19-31-23-33-21(27)35-25(37-23)39(3)4;/h28-29H,5-19H2,1-4H3,(H3,26,30,32,34,36)(H3,27,31,33,35,37);1H
InChIKeyOXZXPDPLCZCIDH-UHFFFAOYSA-N
MW583.23 g/mol
LogP1.99
Rot. Bonds22

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

4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 45264890) has the molecular formula C25H51ClN14 and a molecular weight of 583.23 g/mol. Its IUPAC name is 4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID45264890
Molecular FormulaC25H51ClN14
Molecular Weight583.23 g/mol
Exact Mass582.41
IUPAC Name4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCN(C)c1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(N(C)C)n2)n1.Cl
InChIInChI=1S/C25H50N14.ClH/c1-38(2)24-34-20(26)32-22(36-24)30-18-12-16-28-14-10-8-6-5-7-9-11-15-29-17-13-19-31-23-33-21(27)35-25(37-23)39(3)4;/h28-29H,5-19H2,1-4H3,(H3,26,30,32,34,36)(H3,27,31,33,35,37);1H
InChIKeyOXZXPDPLCZCIDH-UHFFFAOYSA-N
XLogP1.99
TPSA183.98 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500583.23
LogP ≤ 51.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 45264890) is 4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is CN(C)c1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(N(C)C)n2)n1.Cl.
What is the InChIKey of 4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is OXZXPDPLCZCIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N14.ClH/c1-38(2)24-34-20(26)32-22(36-24)30-18-12-16-28-14-10-8-6-5-7-9-11-15-29-17-13-19-31-23-33-21(27)35-25(37-23)39(3)4;/h28-29H,5-19H2,1-4H3,(H3,26,30,32,34,36)(H3,27,31,33,35,37);1H.
What are the key properties of 4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 583.23 g/mol, XLogP of 1.99, 22 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 45264890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).