4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine

C15H27ClN4 — CID 18328893

IUPAC4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine
SMILESCCCCCCN(CCCCCC)c1ncnc(Cl)n1
InChIInChI=1S/C15H27ClN4/c1-3-5-7-9-11-20(12-10-8-6-4-2)15-18-13-17-14(16)19-15/h13H,3-12H2,1-2H3
InChIKeyMYKBLUBRJHUMBW-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.49
Rot. Bonds11

About 4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine

4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine (PubChem CID 18328893) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is 4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine
PubChem CID18328893
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC Name4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine
SMILESCCCCCCN(CCCCCC)c1ncnc(Cl)n1
InChIInChI=1S/C15H27ClN4/c1-3-5-7-9-11-20(12-10-8-6-4-2)15-18-13-17-14(16)19-15/h13H,3-12H2,1-2H3
InChIKeyMYKBLUBRJHUMBW-UHFFFAOYSA-N
XLogP4.49
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine (CID 18328893) is 4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine is CCCCCCN(CCCCCC)c1ncnc(Cl)n1.
What is the InChIKey of 4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine?
The InChIKey is MYKBLUBRJHUMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-3-5-7-9-11-20(12-10-8-6-4-2)15-18-13-17-14(16)19-15/h13H,3-12H2,1-2H3.
What are the key properties of 4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine?
4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine has a molecular weight of 298.86 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dihexyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 18328893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).