6-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

C25H54ClN9 — CID 45261617

IUPAC6-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCN(C)c1nc(NCCCNCCCCCCCCCCCCNCCCN)nc(N(C)C)n1.Cl
InChIInChI=1S/C25H53N9.ClH/c1-33(2)24-30-23(31-25(32-24)34(3)4)29-22-16-21-28-19-14-12-10-8-6-5-7-9-11-13-18-27-20-15-17-26;/h27-28H,5-22,26H2,1-4H3,(H,29,30,31,32);1H
InChIKeyOHSXDWDNOPGASD-UHFFFAOYSA-N
MW516.22 g/mol
LogP3.66
Rot. Bonds23

About 6-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

6-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 45261617) has the molecular formula C25H54ClN9 and a molecular weight of 516.22 g/mol. Its IUPAC name is 6-N-[3-[12-(3-aminopropylamino)dodecylamino]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-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID45261617
Molecular FormulaC25H54ClN9
Molecular Weight516.22 g/mol
Exact Mass515.42
IUPAC Name6-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCN(C)c1nc(NCCCNCCCCCCCCCCCCNCCCN)nc(N(C)C)n1.Cl
InChIInChI=1S/C25H53N9.ClH/c1-33(2)24-30-23(31-25(32-24)34(3)4)29-22-16-21-28-19-14-12-10-8-6-5-7-9-11-13-18-27-20-15-17-26;/h27-28H,5-22,26H2,1-4H3,(H,29,30,31,32);1H
InChIKeyOHSXDWDNOPGASD-UHFFFAOYSA-N
XLogP3.66
TPSA107.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.22
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-N-[3-[12-(3-aminopropylamino)dodecylamino]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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Related Compounds

N-Octadecyl-1,3,5-triazine-2,4,6-triamine
CID 89073
6-N-[3-[12-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261415
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
2-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261578
2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261600
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
2-N-[3-[12-[3-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261636
2-N-[3-[12-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]dodecylamino]propyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261655
4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45264920
2-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45265015
2-N-[3-[12-[3-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]propylamino]dodecylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261574
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

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[12-(3-aminopropylamino)dodecylamino]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-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 45261617) is 6-N-[3-[12-(3-aminopropylamino)dodecylamino]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-[12-(3-aminopropylamino)dodecylamino]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-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is CN(C)c1nc(NCCCNCCCCCCCCCCCCNCCCN)nc(N(C)C)n1.Cl.
What is the InChIKey of 6-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is OHSXDWDNOPGASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N9.ClH/c1-33(2)24-30-23(31-25(32-24)34(3)4)29-22-16-21-28-19-14-12-10-8-6-5-7-9-11-13-18-27-20-15-17-26;/h27-28H,5-22,26H2,1-4H3,(H,29,30,31,32);1H.
What are the key properties of 6-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
6-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 516.22 g/mol, XLogP of 3.66, 23 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 45261617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).