6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine

C18H34ClN5 — CID 625068

IUPAC6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCN(CCCCCC)c1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C18H34ClN5/c1-4-7-9-11-14-24(15-12-10-8-5-2)18-22-16(19)21-17(23-18)20-13-6-3/h4-15H2,1-3H3,(H,20,21,22,23)
InChIKeyAGFIMTCZWOARQV-UHFFFAOYSA-N
MW355.96 g/mol
LogP5.31
Rot. Bonds14

About 6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 625068) has the molecular formula C18H34ClN5 and a molecular weight of 355.96 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID625068
Molecular FormulaC18H34ClN5
Molecular Weight355.96 g/mol
Exact Mass355.25
IUPAC Name6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCN(CCCCCC)c1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C18H34ClN5/c1-4-7-9-11-14-24(15-12-10-8-5-2)18-22-16(19)21-17(23-18)20-13-6-3/h4-15H2,1-3H3,(H,20,21,22,23)
InChIKeyAGFIMTCZWOARQV-UHFFFAOYSA-N
XLogP5.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.96
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 625068) is 6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCCCCN(CCCCCC)c1nc(Cl)nc(NCCC)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AGFIMTCZWOARQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34ClN5/c1-4-7-9-11-14-24(15-12-10-8-5-2)18-22-16(19)21-17(23-18)20-13-6-3/h4-15H2,1-3H3,(H,20,21,22,23).
What are the key properties of 6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 355.96 g/mol, XLogP of 5.31, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dihexyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 625068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).