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

C29H59ClN14 — CID 45261594

IUPAC6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCN(C)c1nc(NCCCNCCCCCCCCCNCCCNc2nc(N(C)C)nc(N(C)C)n2)nc(N(C)C)n1.Cl
InChIInChI=1S/C29H58N14.ClH/c1-40(2)26-34-24(35-27(38-26)41(3)4)32-22-16-20-30-18-14-12-10-9-11-13-15-19-31-21-17-23-33-25-36-28(42(5)6)39-29(37-25)43(7)8;/h30-31H,9-23H2,1-8H3,(H,32,34,35,38)(H,33,36,37,39);1H
InChIKeySTMLGYDAHSPQRO-UHFFFAOYSA-N
MW639.34 g/mol
LogP2.96
Rot. Bonds24

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

6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 45261594) has the molecular formula C29H59ClN14 and a molecular weight of 639.34 g/mol. Its IUPAC name is 6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID45261594
Molecular FormulaC29H59ClN14
Molecular Weight639.34 g/mol
Exact Mass638.47
IUPAC Name6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCN(C)c1nc(NCCCNCCCCCCCCCNCCCNc2nc(N(C)C)nc(N(C)C)n2)nc(N(C)C)n1.Cl
InChIInChI=1S/C29H58N14.ClH/c1-40(2)26-34-24(35-27(38-26)41(3)4)32-22-16-20-30-18-14-12-10-9-11-13-15-19-31-21-17-23-33-25-36-28(42(5)6)39-29(37-25)43(7)8;/h30-31H,9-23H2,1-8H3,(H,32,34,35,38)(H,33,36,37,39);1H
InChIKeySTMLGYDAHSPQRO-UHFFFAOYSA-N
XLogP2.96
TPSA138.42 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.34
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 45261594) is 6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is CN(C)c1nc(NCCCNCCCCCCCCCNCCCNc2nc(N(C)C)nc(N(C)C)n2)nc(N(C)C)n1.Cl.
What is the InChIKey of 6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is STMLGYDAHSPQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N14.ClH/c1-40(2)26-34-24(35-27(38-26)41(3)4)32-22-16-20-30-18-14-12-10-9-11-13-15-19-31-21-17-23-33-25-36-28(42(5)6)39-29(37-25)43(7)8;/h30-31H,9-23H2,1-8H3,(H,32,34,35,38)(H,33,36,37,39);1H.
What are the key properties of 6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 639.34 g/mol, XLogP of 2.96, 24 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 45261594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).