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

C23H50ClN9 — CID 45264920

IUPAC4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCN(C)c1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCN)n1.Cl
InChIInChI=1S/C23H49N9.ClH/c1-32(2)23-30-21(25)29-22(31-23)28-20-14-19-27-17-12-10-8-6-4-3-5-7-9-11-16-26-18-13-15-24;/h26-27H,3-20,24H2,1-2H3,(H3,25,28,29,30,31);1H
InChIKeyNXVUPBJNEAIKPF-UHFFFAOYSA-N
MW488.17 g/mol
LogP3.17
Rot. Bonds22

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

4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 45264920) has the molecular formula C23H50ClN9 and a molecular weight of 488.17 g/mol. Its IUPAC name is 4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID45264920
Molecular FormulaC23H50ClN9
Molecular Weight488.17 g/mol
Exact Mass487.39
IUPAC Name4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCN(C)c1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCN)n1.Cl
InChIInChI=1S/C23H49N9.ClH/c1-32(2)23-30-21(25)29-22(31-23)28-20-14-19-27-17-12-10-8-6-4-3-5-7-9-11-16-26-18-13-15-24;/h26-27H,3-20,24H2,1-2H3,(H3,25,28,29,30,31);1H
InChIKeyNXVUPBJNEAIKPF-UHFFFAOYSA-N
XLogP3.17
TPSA130.04 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.17
LogP ≤ 53.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-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
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
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
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 4-N-[3-[12-(3-aminopropylamino)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-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 45264920) is 4-N-[3-[12-(3-aminopropylamino)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-aminopropylamino)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-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is CN(C)c1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCN)n1.Cl.
What is the InChIKey of 4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is NXVUPBJNEAIKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N9.ClH/c1-32(2)23-30-21(25)29-22(31-23)28-20-14-19-27-17-12-10-8-6-4-3-5-7-9-11-16-26-18-13-15-24;/h26-27H,3-20,24H2,1-2H3,(H3,25,28,29,30,31);1H.
What are the key properties of 4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 488.17 g/mol, XLogP of 3.17, 22 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 45264920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).