2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine

C27H54N6 — CID 23295147

IUPAC2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCNc1nc(N)nc(NCCCCCCCCCCCC)n1
InChIInChI=1S/C27H54N6/c1-3-5-7-9-11-13-15-17-19-21-23-29-26-31-25(28)32-27(33-26)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H4,28,29,30,31,32,33)
InChIKeyTZWOBTBQHFEZCD-UHFFFAOYSA-N
MW462.77 g/mol
LogP8.12
Rot. Bonds24

About 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23295147) has the molecular formula C27H54N6 and a molecular weight of 462.77 g/mol. Its IUPAC name is 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine
PubChem CID23295147
Molecular FormulaC27H54N6
Molecular Weight462.77 g/mol
Exact Mass462.44
IUPAC Name2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCNc1nc(N)nc(NCCCCCCCCCCCC)n1
InChIInChI=1S/C27H54N6/c1-3-5-7-9-11-13-15-17-19-21-23-29-26-31-25(28)32-27(33-26)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H4,28,29,30,31,32,33)
InChIKeyTZWOBTBQHFEZCD-UHFFFAOYSA-N
XLogP8.12
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.77
LogP ≤ 58.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Octadecyl-1,3,5-triazine-2,4,6-triamine
CID 89073
6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine
CID 3094336
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
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
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
N,N'''-Dodecane-1,12-diylbis[1,3,5-triazine-2,4,6-triamine]
CID 6454306
N2,N4,N6-Tripropyl-1,3,5-triazine-2,4,6-triamine
CID 11368773
s-Triazine, 2-amino-4-(cyclohexylamino)-6-(dimethylamino)-
CID 207596

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine (CID 23295147) is 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCCCNc1nc(N)nc(NCCCCCCCCCCCC)n1.
What is the InChIKey of 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is TZWOBTBQHFEZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N6/c1-3-5-7-9-11-13-15-17-19-21-23-29-26-31-25(28)32-27(33-26)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H4,28,29,30,31,32,33).
What are the key properties of 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 462.77 g/mol, XLogP of 8.12, 24 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23295147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).