4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine

C17H22N4 — CID 63867173

IUPAC4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc(C3CCCCCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-12-8-10-14(11-9-12)16-19-15(20-17(18)21-16)13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H2,18,19,20,21)
InChIKeyQPJRCUGFRHGNNG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.87
Rot. Bonds2

About 4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 63867173) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID63867173
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc(C3CCCCCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-12-8-10-14(11-9-12)16-19-15(20-17(18)21-16)13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H2,18,19,20,21)
InChIKeyQPJRCUGFRHGNNG-UHFFFAOYSA-N
XLogP3.87
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine (CID 63867173) is 4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine is Cc1ccc(-c2nc(N)nc(C3CCCCCC3)n2)cc1.
What is the InChIKey of 4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is QPJRCUGFRHGNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-8-10-14(11-9-12)16-19-15(20-17(18)21-16)13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).