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

C13H26N6 — CID 66899786

IUPAC2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCN(CCCCC)c1nc(N)nc(N)n1
InChIInChI=1S/C13H26N6/c1-3-5-7-9-19(10-8-6-4-2)13-17-11(14)16-12(15)18-13/h3-10H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyGXQOOJLFYHIAJY-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.22
Rot. Bonds9

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

2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 66899786) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
PubChem CID66899786
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCN(CCCCC)c1nc(N)nc(N)n1
InChIInChI=1S/C13H26N6/c1-3-5-7-9-19(10-8-6-4-2)13-17-11(14)16-12(15)18-13/h3-10H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyGXQOOJLFYHIAJY-UHFFFAOYSA-N
XLogP2.22
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine (CID 66899786) is 2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine is CCCCCN(CCCCC)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GXQOOJLFYHIAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-3-5-7-9-19(10-8-6-4-2)13-17-11(14)16-12(15)18-13/h3-10H2,1-2H3,(H4,14,15,16,17,18).
What are the key properties of 2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 266.39 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 66899786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).