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

C39H78N6 — CID 154256364

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCN(CCCCCC)c1nc(N(CCCCCC)CCCCCC)nc(N(CCCCCC)CCCCCC)n1
InChIInChI=1S/C39H78N6/c1-7-13-19-25-31-43(32-26-20-14-8-2)37-40-38(44(33-27-21-15-9-3)34-28-22-16-10-4)42-39(41-37)45(35-29-23-17-11-5)36-30-24-18-12-6/h7-36H2,1-6H3
InChIKeyQQLLBYGJHKLFKF-UHFFFAOYSA-N
MW631.10 g/mol
LogP11.77
Rot. Bonds33

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

2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 154256364) has the molecular formula C39H78N6 and a molecular weight of 631.10 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine
PubChem CID154256364
Molecular FormulaC39H78N6
Molecular Weight631.10 g/mol
Exact Mass630.63
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCN(CCCCCC)c1nc(N(CCCCCC)CCCCCC)nc(N(CCCCCC)CCCCCC)n1
InChIInChI=1S/C39H78N6/c1-7-13-19-25-31-43(32-26-20-14-8-2)37-40-38(44(33-27-21-15-9-3)34-28-22-16-10-4)42-39(41-37)45(35-29-23-17-11-5)36-30-24-18-12-6/h7-36H2,1-6H3
InChIKeyQQLLBYGJHKLFKF-UHFFFAOYSA-N
XLogP11.77
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.10
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-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

1,3,5-Triazine-2,4-diamine, N,N,N',N'-tetramethyl-6-(1-piperidinyl)-
CID 969866
Dibutylmelamine
CID 11310965
1,3,5-Triazine-2,4-diamine, N2,N2,N4,N4-tetrabutyl-6-chloro-
CID 3750346
1-[4,6-Bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane
CID 1069193
N^2^,N^2^,N^4^,N^4^,N^6^,N^6^-Hexapropyl-1,3,5-triazine-2,4,6-triamine
CID 3600719
1,3,5-Triazine-2,4,6-triamine, N,N-dioctadecyl-
CID 12113048
2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine
CID 14933141
Hexyl-methylmelamine
CID 69049716
Dioctadecylamino-1,3,5-triazine
CID 129651822
Tetrabutylammonium isocyanurate
CID 129765236
4,6-Dichloro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 10520613
4,6-difluoro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 54181313

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine (CID 154256364) is 2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine is CCCCCCN(CCCCCC)c1nc(N(CCCCCC)CCCCCC)nc(N(CCCCCC)CCCCCC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QQLLBYGJHKLFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H78N6/c1-7-13-19-25-31-43(32-26-20-14-8-2)37-40-38(44(33-27-21-15-9-3)34-28-22-16-10-4)42-39(41-37)45(35-29-23-17-11-5)36-30-24-18-12-6/h7-36H2,1-6H3.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 631.10 g/mol, XLogP of 11.77, 33 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 154256364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).