4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine

C13H23N5 — CID 63867620

IUPAC4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(N2CCCCCC2)n1
InChIInChI=1S/C13H23N5/c1-13(2,3)10-15-11(14)17-12(16-10)18-8-6-4-5-7-9-18/h4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyGKZDXJATPGLKSF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.13
Rot. Bonds1

About 4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine (PubChem CID 63867620) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine
PubChem CID63867620
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(N2CCCCCC2)n1
InChIInChI=1S/C13H23N5/c1-13(2,3)10-15-11(14)17-12(16-10)18-8-6-4-5-7-9-18/h4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyGKZDXJATPGLKSF-UHFFFAOYSA-N
XLogP2.13
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine (CID 63867620) is 4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine?
The InChIKey is GKZDXJATPGLKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(2,3)10-15-11(14)17-12(16-10)18-8-6-4-5-7-9-18/h4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-tert-butyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).